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

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

Click to see the large picture

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)/p-1/t18-/m1/s1