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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-7-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C30H32ClN3O4 MolecularWeight: 534.04578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC(C)(C)C

InChI

InChI=1S/C30H32ClN3O4/c1-19-9-8-12-22(15-19)34(29(38)32-30(2,3)4)26-17-23(20-10-6-5-7-11-20)24-16-21(31)13-14-25(24)33(28(26)37)18-27(35)36/h5-16,23,26H,17-18H2,1-4H3,(H,32,38)(H,35,36)