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

Systemtic Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(3,4-dimethoxyphenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C22H23N2O5- MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC(=C(C=C3)OC)OC)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-14-4-6-15(7-5-14)17-13-18(24(23-17)21(25)10-11-22(26)27)16-8-9-19(28-2)20(12-16)29-3/h4-9,12,18H,10-11,13H2,1-3H3,(H,26,27)/p-1/t18-/m0/s1