(3-methylphenyl)methyl (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (3-methylphenyl)methyl (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: m-tolylmethyl (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid (3-methylbenzyl) ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-16-4-2-5-17(8-16)15-28-22(26)21-6-3-7-25(21)23(27)24-12-18-9-19(13-24)11-20(10-18)14-24/h2,4-5,8,18-21H,3,6-7,9-15H2,1H3/t18?,19?,20?,21-,24?/m1/s1