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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O4/c1-3-27-20-18(5-4-6-23-20)21(26)28-13-19(25)24-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,14-17H,3,7-13H2,1-2H3,(H,24,25)