octyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: octyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: octyl 2-(3-chloro-4-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid octyl ester IUPAC Name: octyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid octyl ester Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C24H26ClNO4/c1-3-4-5-6-7-8-13-30-24(29)17-10-12-19-20(14-17)23(28)26(22(19)27)18-11-9-16(2)21(25)15-18/h9-12,14-15H,3-8,13H2,1-2H3