hexyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H25NO4/c1-4-5-6-7-12-28-23(27)17-10-11-18-19(14-17)22(26)24(21(18)25)20-13-15(2)8-9-16(20)3/h8-11,13-14H,4-7,12H2,1-3H3