ethyl 2-[3-(2-azanyl-3-phenyl-propanoyl)-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-azanyl-3-phenyl-propanoyl)-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-amino-3-phenyl-propanoyl)-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-(2-amino-1-oxo-3-phenylpropyl)-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-amino-3-phenylpropanoyl)-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-(2-keto-5-phenyl-3-phenylalanyl-3H-1-benzazepin-1-yl)acetic acid ethyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)C(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)C(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-2-35-27(32)19-31-26-16-10-9-15-22(26)23(21-13-7-4-8-14-21)18-24(29(31)34)28(33)25(30)17-20-11-5-3-6-12-20/h3-16,18,24-25H,2,17,19,30H2,1H3