(2-cyanophenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2-cyanophenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: (2-cyanophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid (2-cyanobenzyl) ester Formula: C24H30N2O3 MolecularWeight: 394.5066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30N2O3/c1-15(2)21(22(27)29-14-20-6-4-3-5-19(20)13-25)26-23(28)24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,15-18,21H,7-12,14H2,1-2H3,(H,26,28)/t16?,17?,18?,21-,24?/m1/s1