[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O4/c1-15-8-9-18(12-16(15)2)26-14-21(25)27-13-20(24)23-11-10-19(22-23)17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3