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

Systemtic Name: methyl 5-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-5-oxo-pentanoate CAS Name: 5-[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]amino]valeric acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-18-16-20(13-14-21(18)17-26-23(28)11-7-12-24(29)31-2)25(30)27-15-6-5-9-19-8-3-4-10-22(19)27/h3-4,8,10,13-14,16H,5-7,9,11-12,15,17H2,1-2H3,(H,26,28)