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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic 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] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-32-23-15-13-22(14-16-23)25-18-24(21-10-6-3-7-11-21)28-29(25)26(30)19-33-27(31)17-12-20-8-4-2-5-9-20/h3,6-7,10-11,13-16,20,25H,2,4-5,8-9,12,17-19H2,1H3