[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (3R)-3,5,5-trimethylhexanoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (3R)-3,5,5-trimethylhexanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (3R)-3,5,5-trimethylhexanoate CAS Name: (3R)-3,5,5-trimethylhexanoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] (3R)-3,5,5-trimethylhexanoate Traditional Name: (3R)-3,5,5-trimethylhexanoic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)CC(C)CC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C[C@H](C)CC(C)(C)C)C

InChI

InChI=1S/C26H32N2O2/c1-18(17-26(4,5)6)15-25(29)30-24-16-22(21-12-8-7-9-13-21)27-28(24)23-14-10-11-19(2)20(23)3/h7-14,16,18H,15,17H2,1-6H3/t18-/m0/s1