[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-15-8-10-16(11-9-15)12-22-19(25)14-28-21(26)20-18(27-2)13-24(23-20)17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,22,25)