[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C

InChI

InChI=1S/C22H22N4O4/c1-14-4-7-18(12-15(14)2)24-22(29)25-20(27)13-30-21(28)17-5-8-19(9-6-17)26-16(3)10-11-23-26/h4-12H,13H2,1-3H3,(H2,24,25,27,29)