2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(phenylmethyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-[1-(carboxymethyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-(4-benzylpiperidino)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H28N2O5/c1-32-19-7-8-22-20(14-19)21(15-27(22)16-23(28)29)24(25(30)31)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24H,9-13,16H2,1H3,(H,28,29)(H,30,31)