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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N2O5/c1-25-17-9-8-15(12-18(17)26-2)20(24)27-13-19(23)22-11-10-16(21-22)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3