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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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