4-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-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=CC(N(N2)C(=O)CCC(=O)[O-])C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCC(=O)[O-])C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-28-15-6-4-14(5-7-15)18-13-19(24(23-18)21(25)10-11-22(26)27)17-12-16(29-2)8-9-20(17)30-3/h4-9,12-13,19,23H,10-11H2,1-3H3,(H,26,27)/p-1/t19-/m0/s1