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

Systemtic Name: 3-[[4-[5-methoxy-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[5-methoxy-1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[5-methoxy-1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[5-methoxy-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[5-methoxy-1-[2-(3-thienyl)ethyl]indol-3-yl]piperidino]methyl]benzoic acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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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)CCC5=CSC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CCC5=CSC=C5

InChI

InChI=1S/C28H30N2O3S/c1-33-24-5-6-27-25(16-24)26(18-30(27)13-7-20-10-14-34-19-20)22-8-11-29(12-9-22)17-21-3-2-4-23(15-21)28(31)32/h2-6,10,14-16,18-19,22H,7-9,11-13,17H2,1H3,(H,31,32)