2-[3-[(3-ethylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-ethylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-ethylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[(3-ethylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(3-ethylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[(3-ethylphenyl)carbamoylamino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-2-18-9-8-12-20(15-18)28-27(34)29-23-16-22(19-10-4-3-5-11-19)21-13-6-7-14-24(21)30(26(23)33)17-25(31)32/h3-15,22-23H,2,16-17H2,1H3,(H,31,32)(H2,28,29,34)