[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-18-12-8-7-11-17(18)23-20(25)19(15-9-5-4-6-10-15)28-21(26)16-13-22-24(2)14-16/h4-14,19H,3H2,1-2H3,(H,23,25)