2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]heptoxy]-4-oxidanylidene-3,3-bis(phenylmethyl)butanoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]heptoxy]-4-oxidanylidene-3,3-bis(phenylmethyl)butanoic acid Openeye Name: 3,3-dibenzyl-4-(3-tert-butoxycarbonylheptoxy)-2-[(1,3-dioxoisoindolin-2-yl)methyl]-4-oxo-butanoic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methyl]-4-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]heptoxy]-4-oxo-3,3-bis(phenylmethyl)butanoic acid IUPAC Name: 3,3-dibenzyl-2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]heptoxy]-4-oxobutanoic acid Traditional Name: 3,3-dibenzyl-4-(3-tert-butoxycarbonylheptoxy)-4-keto-2-(phthalimidomethyl)butyric acid Formula: C39H45NO8 MolecularWeight: 655.7765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(CN3C(=O)C4=CC=CC=C4C3=O)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(CN3C(=O)C4=CC=CC=C4C3=O)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H45NO8/c1-5-6-19-29(36(45)48-38(2,3)4)22-23-47-37(46)39(24-27-15-9-7-10-16-27,25-28-17-11-8-12-18-28)32(35(43)44)26-40-33(41)30-20-13-14-21-31(30)34(40)42/h7-18,20-21,29,32H,5-6,19,22-26H2,1-4H3,(H,43,44)