heptyl 2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: heptyl 2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: heptyl 2-(4-heptoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[heptoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-heptoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-heptoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid heptyl ester Formula: C30H37NO6 MolecularWeight: 507.61788

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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)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCCCCC

InChI

InChI=1S/C30H37NO6/c1-3-5-7-9-11-19-36-29(34)22-13-16-24(17-14-22)31-27(32)25-18-15-23(21-26(25)28(31)33)30(35)37-20-12-10-8-6-4-2/h13-18,21H,3-12,19-20H2,1-2H3