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

Systemtic Name: 2-(3-oxidanylidene-1-propyl-1H-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(1-oxo-3-propyl-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(3-oxo-1-propyl-1H-isoindol-2-yl)pentanedioic acid IUPAC Name: 2-(3-oxo-1-propyl-1H-isoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-keto-3-propyl-isoindolin-2-yl)glutaric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(=O)N1C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCC1C2=CC=CC=C2C(=O)N1C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-2-5-12-10-6-3-4-7-11(10)15(20)17(12)13(16(21)22)8-9-14(18)19/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,18,19)(H,21,22)