[(2R)-1-[[(E,2S,3R)-1,3-bis(phenylmethoxy)octadec-4-en-2-yl]amino]-1-oxidanylidene-hexacosan-2-yl] ethanoate

Systemtic Name: [(2R)-1-[[(E,2S,3R)-1,3-bis(phenylmethoxy)octadec-4-en-2-yl]amino]-1-oxidanylidene-hexacosan-2-yl] ethanoate Openeye Name: [(1R)-1-[[(E,1S,2R)-2-benzyloxy-1-(benzyloxymethyl)heptadec-3-enyl]carbamoyl]pentacosyl] acetate CAS Name: acetic acid [(2R)-1-[[(E,2S,3R)-1,3-bis(phenylmethoxy)octadec-4-en-2-yl]amino]-1-oxohexacosan-2-yl] ester IUPAC Name: [(2R)-1-[[(E,2S,3R)-1,3-bis(phenylmethoxy)octadec-4-en-2-yl]amino]-1-oxohexacosan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[[(E,1S,2R)-2-benzoxy-1-(benzoxymethyl)heptadec-3-enyl]carbamoyl]pentacosyl] ester Formula: C60H101NO5 MolecularWeight: 916.44764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COCC1=CC=CC=C1)C(C=CCCCCCCCCCCCCC)OCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](COCC1=CC=CC=C1)[C@@H](/C=C/CCCCCCCCCCCCC)OCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C60H101NO5/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-44-50-59(66-54(3)62)60(63)61-57(53-64-51-55-45-39-37-40-46-55)58(65-52-56-47-41-38-42-48-56)49-43-35-33-31-29-27-17-15-13-11-9-7-5-2/h37-43,45-49,57-59H,4-36,44,50-53H2,1-3H3,(H,61,63)/b49-43+/t57-,58+,59+/m0/s1