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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-tert-butylphenyl)amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(3-tert-butyl-N-[(tert-butylamino)-oxomethyl]anilino)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C33H39N3O4/c1-32(2,3)23-15-12-16-24(19-23)36(31(40)34-33(4,5)6)28-20-26(22-13-8-7-9-14-22)25-17-10-11-18-27(25)35(30(28)39)21-29(37)38/h7-19,26,28H,20-21H2,1-6H3,(H,34,40)(H,37,38)