2-(3-methylphenoxy)ethyl (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid 2-(3-methylphenoxy)ethyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4/c1-17-4-2-5-21(10-17)29-8-9-30-23(27)22-6-3-7-26(22)24(28)25-14-18-11-19(15-25)13-20(12-18)16-25/h2,4-5,10,18-20,22H,3,6-9,11-16H2,1H3/t18?,19?,20?,22-,25?/m1/s1