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

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-3-4-10-23(27)29-16-22(26)25-21(18-11-13-19(28-2)14-12-18)15-20(24-25)17-8-6-5-7-9-17/h5-9,11-14,21H,3-4,10,15-16H2,1-2H3/t21-/m1/s1