(2E)-2-[4,4-bis(fluoranyl)-1-[2-[[2-(4-methylphenyl)phenyl]carbonylamino]phenyl]carbonyl-2,3-dihydro-1-benzazepin-5-ylidene]ethanoic acid

Systemtic Name: (2E)-2-[4,4-bis(fluoranyl)-1-[2-[[2-(4-methylphenyl)phenyl]carbonylamino]phenyl]carbonyl-2,3-dihydro-1-benzazepin-5-ylidene]ethanoic acid Openeye Name: (2E)-2-[4,4-difluoro-1-[2-[[2-(p-tolyl)benzoyl]amino]benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid CAS Name: (2E)-2-[4,4-difluoro-1-[[2-[[[2-(4-methylphenyl)phenyl]-oxomethyl]amino]phenyl]-oxomethyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid IUPAC Name: (2E)-2-[4,4-difluoro-1-[2-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid Traditional Name: (2E)-2-[4,4-difluoro-1-[2-[[2-(p-tolyl)benzoyl]amino]benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid Formula: C33H26F2N2O4 MolecularWeight: 552.567346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)N4CCC(C(=CC(=O)O)C5=CC=CC=C54)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)N4CCC(/C(=C/C(=O)O)/C5=CC=CC=C54)(F)F

InChI

InChI=1S/C33H26F2N2O4/c1-21-14-16-22(17-15-21)23-8-2-3-9-24(23)31(40)36-28-12-6-4-11-26(28)32(41)37-19-18-33(34,35)27(20-30(38)39)25-10-5-7-13-29(25)37/h2-17,20H,18-19H2,1H3,(H,36,40)(H,38,39)/b27-20+