[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H30ClNO3 MolecularWeight: 403.9422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30ClNO3/c1-14(2)21(18-3-5-19(24)6-4-18)22(27)28-13-20(26)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,26)/t15?,16?,17?,21-,23?/m1/s1