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

Systemtic Name: 4-[(2-butyl-4-chloranyl-1-oxidanylidene-3H-isoindol-5-yl)oxy]butanoic acid Openeye Name: 4-(2-butyl-4-chloro-1-oxo-isoindolin-5-yl)oxybutanoic acid CAS Name: 4-[(2-butyl-4-chloro-1-oxo-3H-isoindol-5-yl)oxy]butanoic acid IUPAC Name: 4-[(2-butyl-4-chloro-1-oxo-3H-isoindol-5-yl)oxy]butanoic acid Traditional Name: 4-(2-butyl-4-chloro-1-keto-isoindolin-5-yl)oxybutyric acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C1=O)C=CC(=C2Cl)OCCCC(=O)O

Isomeric SMILES

CCCCN1CC2=C(C1=O)C=CC(=C2Cl)OCCCC(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-2-3-8-18-10-12-11(16(18)21)6-7-13(15(12)17)22-9-4-5-14(19)20/h6-7H,2-5,8-10H2,1H3,(H,19,20)