2-methoxy-4-[(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)carbonyl]benzoic acid

Systemtic Name: 2-methoxy-4-[(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)carbonyl]benzoic acid Openeye Name: 2-methoxy-4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)-oxomethyl]benzoic acid IUPAC Name: 2-methoxy-4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)benzoic acid Traditional Name: 2-methoxy-4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC(=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC(=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C21H19N3O4/c1-12-22-16-9-10-24(17-6-4-3-5-14(17)19(16)23-12)20(25)13-7-8-15(21(26)27)18(11-13)28-2/h3-8,11H,9-10H2,1-2H3,(H,22,23)(H,26,27)