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

Systemtic Name: 5-[[4-[(1-butylindol-3-yl)methyl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[(1-butylindol-3-yl)methyl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[(1-butyl-3-indolyl)methyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[(1-butylindol-3-yl)methyl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[(1-butylindol-3-yl)methyl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)CC3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)CC3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H34N2O3/c1-3-4-13-29-19-22(23-7-5-6-8-25(23)29)16-20-11-14-28(15-12-20)18-21-9-10-26(32-2)24(17-21)27(30)31/h5-10,17,19-20H,3-4,11-16,18H2,1-2H3,(H,30,31)