[(5S,7R)-3-methyl-1-adamantyl] pyridine-4-carboxylate

Systemtic Name: [(5S,7R)-3-methyl-1-adamantyl] pyridine-4-carboxylate Openeye Name: [(5S,7R)-3-methyl-1-adamantyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(5S,7R)-3-methyl-1-adamantyl] ester IUPAC Name: [(5S,7R)-3-methyl-1-adamantyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(5S,7R)-3-methyl-1-adamantyl] ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C17H21NO2/c1-16-7-12-6-13(8-16)10-17(9-12,11-16)20-15(19)14-2-4-18-5-3-14/h2-5,12-13H,6-11H2,1H3/t12-,13+,16?,17?