4-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5R)-3-(3-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]butyric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-26-16-9-5-8-15(12-16)17-13-18(14-6-3-2-4-7-14)22(21-17)19(23)10-11-20(24)25/h2-9,12,18H,10-11,13H2,1H3,(H,24,25)/t18-/m1/s1