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

Systemtic Name: heptyl 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: heptyl 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid heptyl ester IUPAC Name: heptyl 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid heptyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-2-3-4-5-9-14-27-22(26)16-12-13-18-19(15-16)21(25)23(20(18)24)17-10-7-6-8-11-17/h6-8,10-13,15H,2-5,9,14H2,1H3