4-bromanyl-5-[4-(tert-butylcarbamoyl)piperidin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-(tert-butylcarbamoyl)piperidin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-(tert-butylcarbamoyl)-1-piperidyl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(tert-butylamino)-oxomethyl]-1-piperidinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-(tert-butylcarbamoyl)piperidin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(tert-butylcarbamoyl)piperidino]coumarilic acid Formula: C19H23BrN2O4 MolecularWeight: 423.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCN(CC1)C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br

Isomeric SMILES

CC(C)(C)NC(=O)C1CCN(CC1)C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br

InChI

InChI=1S/C19H23BrN2O4/c1-19(2,3)21-17(23)11-6-8-22(9-7-11)13-4-5-14-12(16(13)20)10-15(26-14)18(24)25/h4-5,10-11H,6-9H2,1-3H3,(H,21,23)(H,24,25)