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

Systemtic Name: heptyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO4/c1-3-4-5-6-7-12-29-23(28)16-9-11-18-19(13-16)22(27)25(21(18)26)17-10-8-15(2)20(24)14-17/h8-11,13-14H,3-7,12H2,1-2H3