2-[1-[4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3-dihydro-1-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[1-[4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3-dihydro-1-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3-dihydro-1-benzazepin-5-yl]acetic acid CAS Name: 2-[1-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3-dihydro-1-benzazepin-5-yl]acetic acid IUPAC Name: 2-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3-dihydro-1-benzazepin-5-yl]acetic acid Traditional Name: 2-[1-[4-(o-toluoylamino)benzoyl]-2,3-dihydro-1-benzazepin-5-yl]acetic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC=C(C4=CC=CC=C43)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC=C(C4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C27H24N2O4/c1-18-7-2-3-9-22(18)26(32)28-21-14-12-19(13-15-21)27(33)29-16-6-8-20(17-25(30)31)23-10-4-5-11-24(23)29/h2-5,7-15H,6,16-17H2,1H3,(H,28,32)(H,30,31)