2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexyl)oxy-phenyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexyl)oxy-phenyl]pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexoxy)phenyl]pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]pyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(3,3,5,5-tetramethylcyclohexoxy)phenyl]isonicotinic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)OC2=C(C=C(C=C2)C3=NC=CC(=C3)C(=O)O)C#N)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C)OC2=C(C=C(C=C2)C3=NC=CC(=C3)C(=O)O)C#N)C

InChI

InChI=1S/C23H26N2O3/c1-22(2)11-18(12-23(3,4)14-22)28-20-6-5-15(9-17(20)13-24)19-10-16(21(26)27)7-8-25-19/h5-10,18H,11-12,14H2,1-4H3,(H,26,27)