[5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] 3-phenylmethoxytetradecanoate

Systemtic Name: [5-[(2-fluoranyl-3-phenylmethoxycarbonyloxy-tetradecanoyl)amino]-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] 3-phenylmethoxytetradecanoate Openeye Name: [2-allyloxy-3-[(3-benzyloxycarbonyloxy-2-fluoro-tetradecanoyl)amino]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-benzyloxytetradecanoate CAS Name: 3-phenylmethoxytetradecanoic acid [5-[(2-fluoro-1-oxo-3-phenylmethoxycarbonyloxytetradecyl)amino]-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [5-[(2-fluoro-3-phenylmethoxycarbonyloxytetradecanoyl)amino]-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl] 3-phenylmethoxytetradecanoate Traditional Name: 3-benzoxymyristic acid [2-allyloxy-3-[(3-carbobenzoxyoxy-2-fluoro-tetradecanoyl)amino]-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C52H80FNO11 MolecularWeight: 914.190103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC2=CC=CC=C2)F)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(C(CCCCCCCCCCC)OC(=O)OCC2=CC=CC=C2)F)OCC3=CC=CC=C3

InChI

InChI=1S/C52H80FNO11/c1-4-7-9-11-13-15-17-19-27-33-42(61-38-40-29-23-21-24-30-40)36-45(56)65-49-47(51(60-35-6-3)63-44(37-55)48(49)57)54-50(58)46(53)43(34-28-20-18-16-14-12-10-8-5-2)64-52(59)62-39-41-31-25-22-26-32-41/h6,21-26,29-32,42-44,46-49,51,55,57H,3-5,7-20,27-28,33-39H2,1-2H3,(H,54,58)