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

Systemtic Name: 3-[[4-[5-methoxy-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[5-methoxy-1-[2-(2-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[5-methoxy-1-(2-thiophen-2-ylethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[5-methoxy-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[5-methoxy-1-[2-(2-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=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CCC5=CC=CS5

InChI

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