[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O3/c1-13-3-4-18(11-22-13)20(25)26-12-19(24)23-14(2)21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,11,14-17H,5-10,12H2,1-2H3,(H,23,24)