4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]butanoic acid

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]butanoic acid Openeye Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]butanoic acid CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]butanoic acid IUPAC Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]butanoic acid Traditional Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]butyric acid Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNCCCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNCCCC(=O)O)Cl

InChI

InChI=1S/C12H14ClNO4/c13-9-4-8(5-10-12(9)18-7-17-10)6-14-3-1-2-11(15)16/h4-5,14H,1-3,6-7H2,(H,15,16)