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

Systemtic Name: 3-[[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-[2-(3-thienyl)ethyl]indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CSC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4=CSC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H28N2O2S/c30-27(31)23-5-3-4-21(16-23)17-28-12-9-22(10-13-28)25-18-29(14-8-20-11-15-32-19-20)26-7-2-1-6-24(25)26/h1-7,11,15-16,18-19,22H,8-10,12-14,17H2,(H,30,31)