2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[tert-butyl-[(3-ethylanilino)-oxomethyl]amino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butyl-[(3-ethylphenyl)carbamoyl]amino]-5-cyclohexyl-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4CCCCC4)C(C)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4CCCCC4)C(C)(C)C

InChI

InChI=1S/C31H41N3O4/c1-5-21-12-11-15-23(18-21)32-30(38)34(31(2,3)4)27-19-25(22-13-7-6-8-14-22)24-16-9-10-17-26(24)33(29(27)37)20-28(35)36/h9-12,15-18,22,25,27H,5-8,13-14,19-20H2,1-4H3,(H,32,38)(H,35,36)