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

Systemtic Name: 4-[(3S)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-methoxyphenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-5-(2-methoxyphenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]butyrate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3OC)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CC=C3OC)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-4-6-19(16)27-2)23(22-17)20(24)11-12-21(25)26/h3-10,18H,11-13H2,1-2H3,(H,25,26)/p-1/t18-/m0/s1