4-azanyl-3-(5-chloranyl-7-methyl-1-benzofuran-2-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(5-chloranyl-7-methyl-1-benzofuran-2-yl)butanoic acid Openeye Name: 4-amino-3-(5-chloro-7-methyl-benzofuran-2-yl)butanoic acid CAS Name: 4-amino-3-(5-chloro-7-methyl-2-benzofuranyl)butanoic acid IUPAC Name: 4-amino-3-(5-chloro-7-methyl-1-benzofuran-2-yl)butanoic acid Traditional Name: 4-amino-3-(5-chloro-7-methyl-benzofuran-2-yl)butyric acid Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C=C(O2)C(CC(=O)O)CN

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C=C(O2)C(CC(=O)O)CN

InChI

InChI=1S/C13H14ClNO3/c1-7-2-10(14)3-8-4-11(18-13(7)8)9(6-15)5-12(16)17/h2-4,9H,5-6,15H2,1H3,(H,16,17)