heptyl 4-[5-[2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: heptyl 4-[5-[2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: heptyl 4-[5-[2-(4-heptoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[[2-[4-[heptoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolyl]-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid heptyl ester IUPAC Name: heptyl 4-[5-[2-(4-heptoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[5-[2-(4-heptoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carbonyl]-1,3-diketo-isoindolin-2-yl]benzoic acid heptyl ester Formula: C45H44N2O9 MolecularWeight: 756.83886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)OCCCCCCC

InChI

InChI=1S/C45H44N2O9/c1-3-5-7-9-11-25-55-44(53)29-13-19-33(20-14-29)46-40(49)35-23-17-31(27-37(35)42(46)51)39(48)32-18-24-36-38(28-32)43(52)47(41(36)50)34-21-15-30(16-22-34)45(54)56-26-12-10-8-6-4-2/h13-24,27-28H,3-12,25-26H2,1-2H3