2-[3-[tert-butyl-[(3-ethylphenyl)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-ethylphenyl)carbamoyl]amino]-9-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-9-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[tert-butyl-[(3-ethylanilino)-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-ethylphenyl)carbamoyl]amino]-9-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-2-keto-9-methyl-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:

CCC1=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

CCC1=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/C32H37N3O4/c1-6-22-13-11-16-24(18-22)33-31(39)35(32(3,4)5)27-19-26(23-14-8-7-9-15-23)25-17-10-12-21(2)29(25)34(30(27)38)20-28(36)37/h7-18,26-27H,6,19-20H2,1-5H3,(H,33,39)(H,36,37)