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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-30-21-14-12-19(13-15-21)23-16-22(18-8-4-2-5-9-18)26-27(23)24(28)17-31-25(29)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,23H,3,6-7,10-11,16-17H2,1H3