6-(2-azanylpropan-2-yl)-4-chloranyl-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 6-(2-azanylpropan-2-yl)-4-chloranyl-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylic acid Openeye Name: 6-(1-amino-1-methyl-ethyl)-4-chloro-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid CAS Name: 6-(2-aminopropan-2-yl)-4-chloro-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid IUPAC Name: 6-(2-aminopropan-2-yl)-4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid Traditional Name: 6-(1-amino-1-methyl-ethyl)-4-chloro-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C(=C(O2)C3=CC=CC=C3)C(=O)O)C(=C1O)Cl)N

Isomeric SMILES

CC(C)(C1=CC2=C(C(=C(O2)C3=CC=CC=C3)C(=O)O)C(=C1O)Cl)N

InChI

InChI=1S/C18H16ClNO4/c1-18(2,20)10-8-11-12(14(19)15(10)21)13(17(22)23)16(24-11)9-6-4-3-5-7-9/h3-8,21H,20H2,1-2H3,(H,22,23)