3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-(1-butyl-3-pyrrolo[2,3-b]pyridinyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidino]methyl]benzoic acid Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1N=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1N=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H29N3O2/c1-2-3-12-27-17-22(21-8-5-11-25-23(21)27)19-9-13-26(14-10-19)16-18-6-4-7-20(15-18)24(28)29/h4-8,11,15,17,19H,2-3,9-10,12-14,16H2,1H3,(H,28,29)