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

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-benzamidobutanoate Openeye Name: [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic 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] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C27H27N3O6 MolecularWeight: 489.51978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O6/c1-34-21-13-11-19(12-14-21)22-17-23(24-9-6-16-35-24)30(29-22)25(31)18-36-26(32)10-5-15-28-27(33)20-7-3-2-4-8-20/h2-4,6-9,11-14,16,23H,5,10,15,17-18H2,1H3,(H,28,33)