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

Systemtic Name: 3-[[4-[5-methoxy-1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[5-methoxy-1-(3-thienylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[5-methoxy-1-(3-thiophenylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[5-methoxy-1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[5-methoxy-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=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CC5=CSC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CC5=CSC=C5

InChI

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