[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H26N4O4/c1-18-10-9-11-21(16-18)27(34)29-24-15-8-7-14-23(24)28(35)36-17-25(33)30-26-19(2)31-32(20(26)3)22-12-5-4-6-13-22/h4-16H,17H2,1-3H3,(H,29,34)(H,30,33)