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

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC(=O)OCC(=O)N1[C@H](CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O4/c1-3-7-22(26)28-15-21(25)24-20(17-10-12-18(27-2)13-11-17)14-19(23-24)16-8-5-4-6-9-16/h4-6,8-13,20H,3,7,14-15H2,1-2H3/t20-/m1/s1