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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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