(phenylmethyl) (3R,5R)-8-[2-oxidanylidene-2-(tetradecylamino)ethyl]-3,8-bis(phenylmethoxymethyl)-4,7,10-trioxaspiro[4.5]decane-6-carboxylate

Systemtic Name: (phenylmethyl) (3R,5R)-8-[2-oxidanylidene-2-(tetradecylamino)ethyl]-3,8-bis(phenylmethoxymethyl)-4,7,10-trioxaspiro[4.5]decane-6-carboxylate Openeye Name: benzyl (3R,5R)-3,8-bis(benzyloxymethyl)-8-[2-oxo-2-(tetradecylamino)ethyl]-4,7,10-trioxaspiro[4.5]decane-6-carboxylate CAS Name: (3R,5R)-8-[2-oxo-2-(tetradecylamino)ethyl]-3,8-bis(phenylmethoxymethyl)-4,7,10-trioxaspiro[4.5]decane-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,5R)-8-[2-oxo-2-(tetradecylamino)ethyl]-3,8-bis(phenylmethoxymethyl)-4,7,10-trioxaspiro[4.5]decane-6-carboxylate Traditional Name: (3R,5R)-3,8-bis(benzoxymethyl)-8-[2-keto-2-(myristylamino)ethyl]-4,7,10-trioxaspiro[4.5]decane-6-carboxylic acid benzyl ester Formula: C47H65NO8 MolecularWeight: 772.0209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)CC1(COC2(CCC(O2)COCC3=CC=CC=C3)C(O1)C(=O)OCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)CC1(CO[C@@]2(CC[C@@H](O2)COCC3=CC=CC=C3)C(O1)C(=O)OCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C47H65NO8/c1-2-3-4-5-6-7-8-9-10-11-12-22-31-48-43(49)32-46(37-52-34-40-25-18-14-19-26-40)38-54-47(44(56-46)45(50)53-35-41-27-20-15-21-28-41)30-29-42(55-47)36-51-33-39-23-16-13-17-24-39/h13-21,23-28,42,44H,2-12,22,29-38H2,1H3,(H,48,49)/t42-,44?,46?,47-/m1/s1