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

Systemtic Name: 2-methoxy-5-[[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[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=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5=CSC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5=CSC=C5)C(=O)O

InChI

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