[1-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-1-oxidanylidene-octan-2-yl] ethanoate

Systemtic Name: [1-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-1-oxidanylidene-octan-2-yl] ethanoate Openeye Name: 1-[[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]carbamoyl]heptyl acetate CAS Name: acetic acid [1-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-1-oxooctan-2-yl] ester IUPAC Name: [1-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-1-oxooctan-2-yl] acetate Traditional Name: acetic acid 1-[[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]carbamoyl]heptyl ester Formula: C28H53NO5 MolecularWeight: 483.72412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C(CCCCCC)OC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)C(CCCCCC)OC(=O)C)O

InChI

InChI=1S/C28H53NO5/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-26(32)25(23-30)29-28(33)27(34-24(3)31)22-20-9-7-5-2/h19,21,25-27,30,32H,4-18,20,22-23H2,1-3H3,(H,29,33)/b21-19+