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

Systemtic Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2,3-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=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-27-18-10-6-9-15(21(18)28-2)17-13-16(14-7-4-3-5-8-14)22-23(17)19(24)11-12-20(25)26/h3-10,17H,11-13H2,1-2H3,(H,25,26)/p-1/t17-/m0/s1