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

Systemtic Name: 2-(3-oxidanylidene-7-propyl-1H-isoindol-2-yl)butanedioic acid Openeye Name: 2-(1-oxo-4-propyl-isoindolin-2-yl)butanedioic acid CAS Name: 2-(3-oxo-7-propyl-1H-isoindol-2-yl)butanedioic acid IUPAC Name: 2-(3-oxo-7-propyl-1H-isoindol-2-yl)butanedioic acid Traditional Name: 2-(1-keto-4-propyl-isoindolin-2-yl)succinic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-2-4-9-5-3-6-10-11(9)8-16(14(10)19)12(15(20)21)7-13(17)18/h3,5-6,12H,2,4,7-8H2,1H3,(H,17,18)(H,20,21)