[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 6-acetamidohexanoate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 6-acetamidohexanoate Openeye Name: [2-[3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 6-acetamidohexanoate CAS Name: 6-acetamidohexanoic 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] 6-acetamidohexanoate Traditional Name: 6-acetamidohexanoic acid [2-[5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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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)CCCCCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-17-9-11-19(12-10-17)20-15-21(22-7-6-14-31-22)27(26-20)23(29)16-32-24(30)8-4-3-5-13-25-18(2)28/h6-7,9-12,14,21H,3-5,8,13,15-16H2,1-2H3,(H,25,28)