[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic 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] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-14-8-9-16(12-18(14)25-2)20(24)26-13-19(23)22-11-10-17(21-22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3