(4-cyanophenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-cyanophenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-cyanophenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (4-cyanobenzyl) ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-14(20(25)27-13-16-4-2-15(12-23)3-5-16)24-21(26)22-9-17-6-18(10-22)8-19(7-17)11-22/h2-5,14,17-19H,6-11,13H2,1H3,(H,24,26)/t14-,17?,18?,19?,22?/m0/s1