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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-16-4-6-20(7-5-16)26-22(28)15-31-23(29)21-3-2-8-27(21)24(30)25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19,21H,2-3,8-15H2,1H3,(H,26,28)/t17?,18?,19?,21-,25?/m1/s1