[5-[(3,4-didecoxyphenyl)carbonylamino]-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] tetradecanoate

Systemtic Name: [5-[(3,4-didecoxyphenyl)carbonylamino]-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl] tetradecanoate Openeye Name: [2-benzyloxy-3-[(3,4-didecoxybenzoyl)amino]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [5-[[(3,4-didecoxyphenyl)-oxomethyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl] ester IUPAC Name: [5-[(3,4-didecoxybenzoyl)amino]-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-benzoxy-3-[(3,4-didecoxybenzoyl)amino]-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C54H89NO9 MolecularWeight: 896.28576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C54H89NO9/c1-4-7-10-13-16-19-20-21-22-25-31-36-49(57)64-52-50(54(63-48(42-56)51(52)58)62-43-44-34-29-28-30-35-44)55-53(59)45-37-38-46(60-39-32-26-23-17-14-11-8-5-2)47(41-45)61-40-33-27-24-18-15-12-9-6-3/h28-30,34-35,37-38,41,48,50-52,54,56,58H,4-27,31-33,36,39-40,42-43H2,1-3H3,(H,55,59)