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

Systemtic Name: 4-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5S)-5-(2-methoxyphenyl)-3-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=C1C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-26-18-10-6-5-9-15(18)17-13-16(14-7-3-2-4-8-14)21-22(17)19(23)11-12-20(24)25/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m0/s1