methyl (E,2S,3R,4R,5S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,4,5-tris[(4-methoxyphenyl)methoxy]-2-methyl-14-oxidanylidene-icos-6-enoate

Systemtic Name: methyl (E,2S,3R,4R,5S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,4,5-tris[(4-methoxyphenyl)methoxy]-2-methyl-14-oxidanylidene-icos-6-enoate Openeye Name: methyl (E,2S,3R,4R,5S)-2-(1,3-dioxoisoindolin-2-yl)-3,4,5-tris[(4-methoxyphenyl)methoxy]-2-methyl-14-oxo-icos-6-enoate CAS Name: (E,2S,3R,4R,5S)-2-(1,3-dioxo-2-isoindolyl)-3,4,5-tris[(4-methoxyphenyl)methoxy]-2-methyl-14-oxo-6-eicosenoic acid methyl ester IUPAC Name: methyl (E,2S,3R,4R,5S)-2-(1,3-dioxoisoindol-2-yl)-3,4,5-tris[(4-methoxyphenyl)methoxy]-2-methyl-14-oxoicos-6-enoate Traditional Name: (E,2S,3R,4R,5S)-14-keto-2-methyl-3,4,5-tris(p-anisyloxy)-2-phthalimido-eicos-6-enoic acid methyl ester Formula: C54H67NO11 MolecularWeight: 906.10988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CC(C(C(C(C)(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/[C@@H]([C@H]([C@@H]([C@@](C)(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C54H67NO11/c1-7-8-9-14-19-42(56)20-15-12-10-11-13-16-23-48(64-36-39-24-30-43(60-3)31-25-39)49(65-37-40-26-32-44(61-4)33-27-40)50(66-38-41-28-34-45(62-5)35-29-41)54(2,53(59)63-6)55-51(57)46-21-17-18-22-47(46)52(55)58/h16-18,21-35,48-50H,7-15,19-20,36-38H2,1-6H3/b23-16+/t48-,49+,50-,54-/m0/s1