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

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30N2O3/c1-15(2)21(22(27)29-14-17-5-3-16(13-25)4-6-17)26-23(28)24-10-18-7-19(11-24)9-20(8-18)12-24/h3-6,15,18-21H,7-12,14H2,1-2H3,(H,26,28)/t18?,19?,20?,21-,24?/m1/s1