2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butyric acid Formula: C29H30ClN3O4 MolecularWeight: 520.0192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)N1C2=CC=CC=C2C(CC(C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(C(=O)O)N1C2=CC=CC=C2C(CC(C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H30ClN3O4/c1-29(2,3)25(27(35)36)33-24-15-8-7-14-21(24)22(18-10-5-4-6-11-18)17-23(26(33)34)32-28(37)31-20-13-9-12-19(30)16-20/h4-16,22-23,25H,17H2,1-3H3,(H,35,36)(H2,31,32,37)