[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=NC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H24N2O3/c22-17(11-24-18(23)16-1-3-20-4-2-16)21-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)