[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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