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

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

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CC=CS5)C(=O)O

InChI

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