[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-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-(N-methylanilino)ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-26(20-6-3-2-4-7-20)22(28)16-31-23(29)21-8-5-9-27(21)24(30)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-4,6-7,17-19,21H,5,8-16H2,1H3/t17?,18?,19?,21-,25?/m1/s1