[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H24N4O4 MolecularWeight: 444.48246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C25H24N4O4/c1-16-8-7-9-19(12-16)25(32)27-14-23(31)33-15-22(30)28-24-21(13-26)17(2)18(3)29(24)20-10-5-4-6-11-20/h4-12H,14-15H2,1-3H3,(H,27,32)(H,28,30)