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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-propan-2-ylphenyl)amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-isopropyl-anilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-propan-2-ylanilino)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-propan-2-ylanilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-isopropyl-anilino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC(C)(C)C

InChI

InChI=1S/C32H37N3O4/c1-21(2)23-14-11-15-24(18-23)35(31(39)33-32(3,4)5)28-19-26(22-12-7-6-8-13-22)25-16-9-10-17-27(25)34(30(28)38)20-29(36)37/h6-18,21,26,28H,19-20H2,1-5H3,(H,33,39)(H,36,37)