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

Systemtic Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(m-tolylcarbamoylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c1-13-5-4-7-15(11-13)21-20(27)22-16-10-9-14-6-2-3-8-17(14)23(19(16)26)12-18(24)25/h2-8,11,16H,9-10,12H2,1H3,(H,24,25)(H2,21,22,27)