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

Systemtic Name: hexyl 2-naphthalen-1-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(1-naphthyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1-naphthalenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(1-naphthyl)isoindoline-5-carboxylic acid hexyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H23NO4/c1-2-3-4-7-15-30-25(29)18-13-14-20-21(16-18)24(28)26(23(20)27)22-12-8-10-17-9-5-6-11-19(17)22/h5-6,8-14,16H,2-4,7,15H2,1H3