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

Systemtic Name: methyl 3-[[3-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[[3-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-3-oxo-propanoate CAS Name: 3-[[3-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[[3-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-3-oxopropanoate Traditional Name: 3-keto-3-[[3-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]amino]propionic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-16-13-17(15-24-21(26)14-22(27)29-2)10-11-19(16)23(28)25-12-6-5-8-18-7-3-4-9-20(18)25/h3-4,7,9-11,13H,5-6,8,12,14-15H2,1-2H3,(H,24,26)