2-[7-chloranyl-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[7-chloro-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[7-chloro-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[7-chloro-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-7-chloro-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O

InChI

InChI=1S/C24H27ClN2O5/c1-2-32-24(31)20(11-8-16-6-4-3-5-7-16)26-19-12-9-17-14-18(25)10-13-21(17)27(23(19)30)15-22(28)29/h3-7,10,13-14,19-20,26H,2,8-9,11-12,15H2,1H3,(H,28,29)