5-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-(1-butyl-3-pyrrolo[2,3-b]pyridinyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-3-4-12-28-17-22(20-6-5-11-26-24(20)28)19-9-13-27(14-10-19)16-18-7-8-23(31-2)21(15-18)25(29)30/h5-8,11,15,17,19H,3-4,9-10,12-14,16H2,1-2H3,(H,29,30)