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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > (3s)-1-[2-[2,2,2-tris(4-methoxyphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > (3s)-1-[2-[2,2,2-tris(4-methoxyphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > (3s)-1-[2-[2,2,2-tris(4-methoxyphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > (3s)-1-[2-[2,2,2-tris(4-methoxyphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid

Preferred term

(3s)-1-[2-[2,2,2-tris(4-methoxyphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid  

Type

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

charge

  • 0

formula

  • C31H37NO6

inchi

  • InChI=1S/C31H37NO6/c1-35-27-12-6-24(7-13-27)31(25-8-14-28(36-2)15-9-25,26-10-16-29(37-3)17-11-26)22-38-20-19-32-18-4-5-23(21-32)30(33)34/h6-17,23H,4-5,18-22H2,1-3H3,(H,33,34)/t23-/m0/s1

inchikey

  • LFTKOPVLNDVECX-QHCPKHFHSA-N

mass

  • 519.630

monoisotopicmass

  • 519.26209

smiles

  • COC1=CC=C(C=C1)C(COCCN2CCC[C@@H](C2)C(=O)O)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125279

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