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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=NC=C2)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1C=NC=C2)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

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