4-[(2-butyl-1-oxidanylidene-3H-isoindol-5-yl)oxy]butanoic acid

Systemtic Name: 4-[(2-butyl-1-oxidanylidene-3H-isoindol-5-yl)oxy]butanoic acid Openeye Name: 4-(2-butyl-1-oxo-isoindolin-5-yl)oxybutanoic acid CAS Name: 4-[(2-butyl-1-oxo-3H-isoindol-5-yl)oxy]butanoic acid IUPAC Name: 4-[(2-butyl-1-oxo-3H-isoindol-5-yl)oxy]butanoic acid Traditional Name: 4-(2-butyl-1-keto-isoindolin-5-yl)oxybutyric acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C1=O)C=CC(=C2)OCCCC(=O)O

Isomeric SMILES

CCCCN1CC2=C(C1=O)C=CC(=C2)OCCCC(=O)O

InChI

InChI=1S/C16H21NO4/c1-2-3-8-17-11-12-10-13(6-7-14(12)16(17)20)21-9-4-5-15(18)19/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,19)