(3,3,5-trimethylcyclohexyl) 2-oxidanyl-2-(2-pyridin-3-ylcarbonylphenyl)ethanoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 2-oxidanyl-2-(2-pyridin-3-ylcarbonylphenyl)ethanoate Openeye Name: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-[2-(pyridine-3-carbonyl)phenyl]acetate CAS Name: 2-hydroxy-2-[2-[oxo(3-pyridinyl)methyl]phenyl]acetic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-[2-(pyridine-3-carbonyl)phenyl]acetate Traditional Name: 2-hydroxy-2-(2-nicotinoylphenyl)acetic acid (3,3,5-trimethylcyclohexyl) ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2C(=O)C3=CN=CC=C3)O

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2C(=O)C3=CN=CC=C3)O

InChI

InChI=1S/C23H27NO4/c1-15-11-17(13-23(2,3)12-15)28-22(27)21(26)19-9-5-4-8-18(19)20(25)16-7-6-10-24-14-16/h4-10,14-15,17,21,26H,11-13H2,1-3H3