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

Systemtic Name: 5-[[4-(1-butylindol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(1-butylindol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-(1-butyl-3-indolyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(1-butylindol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(1-butylindol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-3-4-13-28-18-23(21-7-5-6-8-24(21)28)20-11-14-27(15-12-20)17-19-9-10-25(31-2)22(16-19)26(29)30/h5-10,16,18,20H,3-4,11-15,17H2,1-2H3,(H,29,30)