[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O3/c1-16-8-22(17(2)28(16)21-4-5-21)24(30)31-15-23(29)27(7-3-6-26)25-12-18-9-19(13-25)11-20(10-18)14-25/h8,18-21H,3-5,7,9-15H2,1-2H3