[2-oxidanylidene-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxy-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxy-ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexoxy]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxyethyl] ester IUPAC Name: [2-oxo-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxyethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-1-phenyl-2-[(1R,5R)-3,3,5-trimethylcyclohexoxy]ethyl] 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=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H]1C[C@H](CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H27NO4/c1-16-12-19(14-23(2,3)13-16)27-22(26)20(17-8-5-4-6-9-17)28-21(25)18-10-7-11-24-15-18/h4-11,15-16,19-20H,12-14H2,1-3H3/t16-,19+,20?/m0/s1