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

Systemtic Name: hexyl 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: hexyl 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid hexyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-2-3-4-8-13-26-21(25)15-11-12-17-18(14-15)20(24)22(19(17)23)16-9-6-5-7-10-16/h5-7,9-12,14H,2-4,8,13H2,1H3