6-(3-azanylpentan-3-yl)-4-chloranyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 6-(3-azanylpentan-3-yl)-4-chloranyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylic acid Openeye Name: 6-(1-amino-1-ethyl-propyl)-4-chloro-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid CAS Name: 6-(3-aminopentan-3-yl)-4-chloro-5-hydroxy-2-methyl-3-benzofurancarboxylic acid IUPAC Name: 6-(3-aminopentan-3-yl)-4-chloro-5-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid Traditional Name: 6-(1-amino-1-ethyl-propyl)-4-chloro-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=C(C(=C(O2)C)C(=O)O)C(=C1O)Cl)N

Isomeric SMILES

CCC(CC)(C1=CC2=C(C(=C(O2)C)C(=O)O)C(=C1O)Cl)N

InChI

InChI=1S/C15H18ClNO4/c1-4-15(17,5-2)8-6-9-11(12(16)13(8)18)10(14(19)20)7(3)21-9/h6,18H,4-5,17H2,1-3H3,(H,19,20)