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

Systemtic Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-3-oxo-propanoic acid CAS Name: 3-[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-3-oxopropanoic acid IUPAC Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-3-oxopropanoic acid Traditional Name: 3-keto-3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]amino]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-15-12-17(9-10-18(15)14-23-20(25)13-21(26)27)22(28)24-11-5-4-7-16-6-2-3-8-19(16)24/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H,23,25)(H,26,27)