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

Systemtic Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C22H23N2O6- MolecularWeight: 411.42782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-28-16-7-4-14(5-8-16)17-13-18(24(23-17)21(25)10-11-22(26)27)15-6-9-19(29-2)20(12-15)30-3/h4-9,12,18H,10-11,13H2,1-3H3,(H,26,27)/p-1/t18-/m0/s1