[(E,2S,3R)-2-azanyl-1-phenylmethoxy-octadec-4-en-3-yl] hexadecanoate

Systemtic Name: [(E,2S,3R)-2-azanyl-1-phenylmethoxy-octadec-4-en-3-yl] hexadecanoate Openeye Name: [(E,1R)-1-[(1S)-1-amino-2-benzyloxy-ethyl]hexadec-2-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E,2S,3R)-2-amino-1-phenylmethoxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-2-amino-1-phenylmethoxyoctadec-4-en-3-yl] hexadecanoate Traditional Name: palmitic acid [(E,1R)-1-[(1S)-1-amino-2-benzoxy-ethyl]hexadec-2-enyl] ester Formula: C41H73NO3 MolecularWeight: 628.02322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C=CCCCCCCCCCCCCC)C(COCC1=CC=CC=C1)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](/C=C/CCCCCCCCCCCCC)[C@H](COCC1=CC=CC=C1)N

InChI

InChI=1S/C41H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-40(39(42)37-44-36-38-32-28-27-29-33-38)45-41(43)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,32-34,39-40H,3-26,31,35-37,42H2,1-2H3/b34-30+/t39-,40+/m0/s1