skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ether > aromatic ether > (2r,3r)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3r)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3r)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2h-1,5-benzoxazocin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r,3r)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2h-1,5-benzoxazocin-6-one

Preferred term

(2r,3r)-8-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2h-1,5-benzoxazocin-6-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H39N3O4

inchi

  • InChI=1S/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)28-17-25(32(3)4)13-16-29(28)38-30(22)20-33(5)19-24-11-14-27(15-12-24)37-26-9-7-6-8-10-26/h6-17,22-23,30,35H,18-21H2,1-5H3/t22-,23-,30+/m1/s1

inchikey

  • WHHZCPPSCKMHDQ-JWUQWVJQSA-N

mass

  • 517.660

monoisotopicmass

  • 517.29406

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113668

Download this concept:

RDF/XML TURTLE JSON-LD