2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-(3-thienylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-(3-thiophenylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[1-(3-thenyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CSC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CSC=C5)C(=O)O

InChI

InChI=1S/C27H28N2O3S/c1-32-26-7-6-19(14-23(26)27(30)31)15-28-11-8-21(9-12-28)24-17-29(16-20-10-13-33-18-20)25-5-3-2-4-22(24)25/h2-7,10,13-14,17-18,21H,8-9,11-12,15-16H2,1H3,(H,30,31)