[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4CCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4CCC4

InChI

InChI=1S/C21H22N2O4/c1-14-7-9-15(10-8-14)17-12-18(19-6-3-11-26-19)23(22-17)20(24)13-27-21(25)16-4-2-5-16/h3,6-11,16,18H,2,4-5,12-13H2,1H3