[2-(2-adamantylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=NC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C18H22N2O3/c21-16(10-23-18(22)13-1-3-19-4-2-13)20-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,11-12,14-15,17H,5-10H2,(H,20,21)