(phenylmethyl) N-[(E,1R,2S)-1-(4-methoxyphenyl)-5-oxidanylidene-2-phenylmethoxy-heptadec-3-enyl]carbamate

Systemtic Name: (phenylmethyl) N-[(E,1R,2S)-1-(4-methoxyphenyl)-5-oxidanylidene-2-phenylmethoxy-heptadec-3-enyl]carbamate Openeye Name: benzyl N-[(E,1R,2S)-2-benzyloxy-1-(4-methoxyphenyl)-5-oxo-heptadec-3-enyl]carbamate CAS Name: N-[(E,1R,2S)-1-(4-methoxyphenyl)-5-oxo-2-phenylmethoxyheptadec-3-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,1R,2S)-1-(4-methoxyphenyl)-5-oxo-2-phenylmethoxyheptadec-3-enyl]carbamate Traditional Name: N-[(E,1R,2S)-2-benzoxy-5-keto-1-(4-methoxyphenyl)heptadec-3-enyl]carbamic acid benzyl ester Formula: C39H51NO5 MolecularWeight: 613.82594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)C=CC(C(C1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(=O)/C=C/[C@@H]([C@@H](C1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C39H51NO5/c1-3-4-5-6-7-8-9-10-11-18-23-35(41)26-29-37(44-30-32-19-14-12-15-20-32)38(34-24-27-36(43-2)28-25-34)40-39(42)45-31-33-21-16-13-17-22-33/h12-17,19-22,24-29,37-38H,3-11,18,23,30-31H2,1-2H3,(H,40,42)/b29-26+/t37-,38+/m0/s1