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

Systemtic Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2,3-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/c1-28-15-9-7-14(8-10-15)17-13-18(24(23-17)20(25)11-12-21(26)27)16-5-4-6-19(29-2)22(16)30-3/h4-10,13,18,23H,11-12H2,1-3H3,(H,26,27)/p-1/t18-/m0/s1