(phenylmethyl) N-[(2R,3S)-3-oxidanyl-6-oxidanylidene-1-phenylmethoxy-octadecan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R,3S)-3-oxidanyl-6-oxidanylidene-1-phenylmethoxy-octadecan-2-yl]carbamate Openeye Name: benzyl N-[(1R,2S)-1-(benzyloxymethyl)-2-hydroxy-5-oxo-heptadecyl]carbamate CAS Name: N-[(2R,3S)-3-hydroxy-6-oxo-1-phenylmethoxyoctadecan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R,3S)-3-hydroxy-6-oxo-1-phenylmethoxyoctadecan-2-yl]carbamate Traditional Name: N-[(1R,2S)-1-(benzoxymethyl)-2-hydroxy-5-keto-heptadecyl]carbamic acid benzyl ester Formula: C33H49NO5 MolecularWeight: 539.74586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)CCC(C(COCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)CC[C@@H]([C@@H](COCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C33H49NO5/c1-2-3-4-5-6-7-8-9-10-17-22-30(35)23-24-32(36)31(27-38-25-28-18-13-11-14-19-28)34-33(37)39-26-29-20-15-12-16-21-29/h11-16,18-21,31-32,36H,2-10,17,22-27H2,1H3,(H,34,37)/t31-,32+/m1/s1