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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > heterocyclic compound > heteropolycyclic compound > heterotricyclic compound > 2-[11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzoxepin-2-yl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > heteropolycyclic compound > heterotricyclic compound > 2-[11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzoxepin-2-yl]acetic acid

Preferred term

2-[11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzoxepin-2-yl]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H23NO3

inchi

  • InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)

inchikey

  • JBIMVDZLSHOPLA-UHFFFAOYSA-N

mass

  • 337.413

monoisotopicmass

  • 337.16779

smiles

  • CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94593

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