2-[7-chloranyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-7-chloro-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[7-chloro-3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[7-chloro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-7-chloro-2-keto-5-phenyl-3H-1-benzazepin-1-yl]acetic acid Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1C=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1C=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H25ClN2O5/c1-24(2,3)32-23(31)26(4)20-13-17(15-8-6-5-7-9-15)18-12-16(25)10-11-19(18)27(22(20)30)14-21(28)29/h5-13,20H,14H2,1-4H3,(H,28,29)