[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H29N3O4/c1-15(27)19-9-20(25(2)13-19)22(29)30-14-21(28)26(5-3-4-24)23-10-16-6-17(11-23)8-18(7-16)12-23/h9,13,16-18H,3,5-8,10-12,14H2,1-2H3