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

Systemtic Name: methyl 4-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]amino]butyric acid methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-17-15-19(10-11-20(17)16-25-22(27)12-13-23(28)30-2)24(29)26-14-6-5-8-18-7-3-4-9-21(18)26/h3-4,7,9-11,15H,5-6,8,12-14,16H2,1-2H3,(H,25,27)