4-[(3R)-3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-5-(2,4-dimethoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H21N2O5- MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O5/c1-27-15-8-9-16(19(12-15)28-2)18-13-17(14-6-4-3-5-7-14)22-23(18)20(24)10-11-21(25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H,25,26)/p-1/t18-/m1/s1