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

Systemtic Name: 3-[[4-(1-butylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(1-butylindol-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-(1-butyl-3-indolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(1-butylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(1-butylindol-3-yl)piperidino]methyl]benzoic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-2-3-13-27-18-23(22-9-4-5-10-24(22)27)20-11-14-26(15-12-20)17-19-7-6-8-21(16-19)25(28)29/h4-10,16,18,20H,2-3,11-15,17H2,1H3,(H,28,29)