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

Systemtic Name: 4-[(3S)-3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-hydroxyphenyl)-3-(3-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN([C@@H](C2)C3=CC=CC=C3O)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-27-14-6-4-5-13(11-14)16-12-17(15-7-2-3-8-18(15)23)22(21-16)19(24)9-10-20(25)26/h2-8,11,17,23H,9-10,12H2,1H3,(H,25,26)/p-1/t17-/m0/s1