[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33NO4/c1-16-5-6-17(2)21(8-16)23(28)15-31-24(29)22-4-3-7-27(22)25(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-6,8,18-20,22H,3-4,7,9-15H2,1-2H3/t18?,19?,20?,22-,26?/m1/s1