[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methylbutanoate

Systemtic Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methylbutanoate Openeye Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-16(2)13-23(27)29-15-22(26)25-21(18-9-11-19(28-3)12-10-18)14-20(24-25)17-7-5-4-6-8-17/h4-12,14,16,21,24H,13,15H2,1-3H3/t21-/m0/s1