2-[3-[tert-butyl-[(3-methylphenyl)carbamoyl]amino]-9-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butyl-[(3-methylphenyl)carbamoyl]amino]-9-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butyl(m-tolylcarbamoyl)amino]-9-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[tert-butyl-[(3-methylanilino)-oxomethyl]amino]-9-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[tert-butyl-[(3-methylphenyl)carbamoyl]amino]-9-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butyl(m-tolylcarbamoyl)amino]-2-keto-9-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)NC(=O)N(C2CC(C3=C(C(=CC=C3)C)N(C2=O)CC(=O)O)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

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

InChI

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