[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H36N2O4/c1-29(2,3)23-14-10-22(11-15-23)28(33)35-19-27(32)31-26(21-12-16-24(34-4)17-13-21)18-25(30-31)20-8-6-5-7-9-20/h5-9,12-13,16-17,22-23,26H,10-11,14-15,18-19H2,1-4H3/t22?,23?,26-/m1/s1