2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-8-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-8-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-2-keto-8-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H35N3O4/c1-20-10-9-13-23(16-20)34(30(38)32-31(3,4)5)27-18-25(22-11-7-6-8-12-22)24-15-14-21(2)17-26(24)33(29(27)37)19-28(35)36/h6-17,25,27H,18-19H2,1-5H3,(H,32,38)(H,35,36)