(phenylmethyl) N-[(E,2S)-6-oxidanylheptadec-4-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(E,2S)-6-oxidanylheptadec-4-en-2-yl]carbamate Openeye Name: benzyl N-[(E,1S)-5-hydroxy-1-methyl-hexadec-3-enyl]carbamate CAS Name: N-[(E,2S)-6-hydroxyheptadec-4-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,2S)-6-hydroxyheptadec-4-en-2-yl]carbamate Traditional Name: N-[(E,1S)-5-hydroxy-1-methyl-hexadec-3-enyl]carbamic acid benzyl ester Formula: C25H41NO3 MolecularWeight: 403.59794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C=CCC(C)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCC(/C=C/C[C@H](C)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-14-19-24(27)20-15-16-22(2)26-25(28)29-21-23-17-12-11-13-18-23/h11-13,15,17-18,20,22,24,27H,3-10,14,16,19,21H2,1-2H3,(H,26,28)/b20-15+/t22-,24?/m0/s1