4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl quinoline-5-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl quinoline-5-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid 4-phthalimidobutyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H18N2O4/c25-20-16-7-1-2-8-17(16)21(26)24(20)13-3-4-14-28-22(27)18-9-5-11-19-15(18)10-6-12-23-19/h1-2,5-12H,3-4,13-14H2