[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O3/c1-23-6-2-4-18(23)20(26)27-14-19(25)24(7-3-5-22)21-11-15-8-16(12-21)10-17(9-15)13-21/h2,4,6,15-17H,3,7-14H2,1H3