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

Systemtic Name: 4-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]butyrate Formula: C20H19N2O4- MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-26-16-9-7-14(8-10-16)17-13-18(15-5-3-2-4-6-15)22(21-17)19(23)11-12-20(24)25/h2-10,18H,11-13H2,1H3,(H,24,25)/p-1/t18-/m0/s1