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

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CO3

Isomeric SMILES

CCC(C)C(=O)OCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CO3

InChI

InChI=1S/C21H24N2O5/c1-4-14(2)21(25)28-13-20(24)23-18(19-6-5-11-27-19)12-17(22-23)15-7-9-16(26-3)10-8-15/h5-11,14,18H,4,12-13H2,1-3H3