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

Systemtic Name: ethyl 4-oxidanyl-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-hydroxy-4-phenyl-butanoate CAS Name: 4-hydroxy-2-[[2-oxo-1-(2-oxopropyl)-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-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-hydroxy-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-3-32-25(31)21(15-23(29)19-10-5-4-6-11-19)26-20-14-13-18-9-7-8-12-22(18)27(24(20)30)16-17(2)28/h4-12,20-21,23,26,29H,3,13-16H2,1-2H3