3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-phenyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-phenyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylpyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-phenyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C(=C1C3=CC=CC=C3)C4CCCCC4)N=CC(=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C(=C1C3=CC=CC=C3)C4CCCCC4)N=CC(=C2)C(=O)O

InChI

InChI=1S/C24H27N3O3/c1-26(2)20(28)15-27-19-13-18(24(29)30)14-25-22(19)21(16-9-5-3-6-10-16)23(27)17-11-7-4-8-12-17/h4,7-8,11-14,16H,3,5-6,9-10,15H2,1-2H3,(H,29,30)