2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid

Systemtic Name: 2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid Openeye Name: 2-(3-methoxypropyl)-3-oxo-isoindoline-4-carboxylic acid CAS Name: 2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxylic acid IUPAC Name: 2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxylic acid Traditional Name: 3-keto-2-(3-methoxypropyl)isoindoline-4-carboxylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CC2=CC=CC(=C2C1=O)C(=O)O

Isomeric SMILES

COCCCN1CC2=CC=CC(=C2C1=O)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-18-7-3-6-14-8-9-4-2-5-10(13(16)17)11(9)12(14)15/h2,4-5H,3,6-8H2,1H3,(H,16,17)