2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-2-oxo-acetic acid CAS Name: 2-[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-2-oxoacetic acid IUPAC Name: 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]amino]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-14-12-16(9-10-17(14)13-22-19(24)21(26)27)20(25)23-11-5-4-7-15-6-2-3-8-18(15)23/h2-3,6,8-10,12H,4-5,7,11,13H2,1H3,(H,22,24)(H,26,27)