ethyl 2-[[2-oxidanylidene-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[2-oxidanylidene-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(1-acetonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)amino]-4-phenyl-butanoate CAS Name: 2-[[2-oxo-1-(2-oxopropyl)-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-1-(2-oxopropyl)-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[(1-acetonyl-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)C

InChI

InChI=1S/C25H30N2O4/c1-3-31-25(30)22(15-13-19-9-5-4-6-10-19)26-21-16-14-20-11-7-8-12-23(20)27(24(21)29)17-18(2)28/h4-12,21-22,26H,3,13-17H2,1-2H3