[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O4/c1-16-5-3-6-17(2)23(16)27-22(29)15-32-24(30)21-7-4-8-28(21)25(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h3,5-6,18-21H,4,7-15H2,1-2H3,(H,27,29)