(3,5-dimethylphenyl) 2-(1-adamantyl)pyridine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 2-(1-adamantyl)pyridine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 2-(1-adamantyl)pyridine-4-carboxylate CAS Name: 2-(1-adamantyl)-4-pyridinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-(1-adamantyl)pyridine-4-carboxylate Traditional Name: 2-(1-adamantyl)isonicotinic acid (3,5-dimethylphenyl) ester Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H27NO2/c1-15-5-16(2)7-21(6-15)27-23(26)20-3-4-25-22(11-20)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,17-19H,8-10,12-14H2,1-2H3