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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3OC)C(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@@H](C2)C3=CC=CC=C3OC)C(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C22H24N2O6/c1-28-18-7-5-4-6-15(18)17-13-16(23-24(17)21(25)10-11-22(26)27)14-8-9-19(29-2)20(12-14)30-3/h4-9,12,17H,10-11,13H2,1-3H3,(H,26,27)/p-1/t17-/m0/s1