3-oxidanylidene-2-propyl-1H-isoindole-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-propyl-1H-isoindole-4-carboxylic acid Openeye Name: 3-oxo-2-propyl-isoindoline-4-carboxylic acid CAS Name: 3-oxo-2-propyl-1H-isoindole-4-carboxylic acid IUPAC Name: 3-oxo-2-propyl-1H-isoindole-4-carboxylic acid Traditional Name: 3-keto-2-propyl-isoindoline-4-carboxylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC(=C2C1=O)C(=O)O

Isomeric SMILES

CCCN1CC2=CC=CC(=C2C1=O)C(=O)O

InChI

InChI=1S/C12H13NO3/c1-2-6-13-7-8-4-3-5-9(12(15)16)10(8)11(13)14/h3-5H,2,6-7H2,1H3,(H,15,16)