2-(1-butyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid

Systemtic Name: 2-(1-butyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(1-butyl-3-oxo-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(1-butyl-3-oxo-1H-isoindol-2-yl)pentanedioic acid IUPAC Name: 2-(1-butyl-3-oxo-1H-isoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-butyl-3-keto-isoindolin-2-yl)glutaric acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C(=O)N1C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1C2=CC=CC=C2C(=O)N1C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-2-3-8-13-11-6-4-5-7-12(11)16(21)18(13)14(17(22)23)9-10-15(19)20/h4-7,13-14H,2-3,8-10H2,1H3,(H,19,20)(H,22,23)