2-(3-oxidanylidene-7-propyl-1H-isoindol-2-yl)pentanedioic acid

Systemtic Name: 2-(3-oxidanylidene-7-propyl-1H-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(1-oxo-4-propyl-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanedioic acid IUPAC Name: 2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-keto-4-propyl-isoindolin-2-yl)glutaric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1CN(C2=O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=CC2=C1CN(C2=O)C(CCC(=O)O)C(=O)O

InChI

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