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

Systemtic Name: 2-methoxy-5-[[4-[1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-[2-(2-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-(2-thiophen-2-ylethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[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=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5=CC=CS5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CCC5=CC=CS5)C(=O)O

InChI

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