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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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