[2-(1-adamantylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C4

Isomeric SMILES

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

InChI

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