5-(tert-butylamino)-3-(hydroxymethyl)-4-propoxy-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(tert-butylamino)-3-(hydroxymethyl)-4-propoxy-1-benzofuran-2-carboxylic acid Openeye Name: 5-(tert-butylamino)-3-(hydroxymethyl)-4-propoxy-benzofuran-2-carboxylic acid CAS Name: 5-(tert-butylamino)-3-(hydroxymethyl)-4-propoxy-2-benzofurancarboxylic acid IUPAC Name: 5-(tert-butylamino)-3-(hydroxymethyl)-4-propoxy-1-benzofuran-2-carboxylic acid Traditional Name: 5-(tert-butylamino)-3-methylol-4-propoxy-coumarilic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC2=C1C(=C(O2)C(=O)O)CO)NC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=CC2=C1C(=C(O2)C(=O)O)CO)NC(C)(C)C

InChI

InChI=1S/C17H23NO5/c1-5-8-22-15-11(18-17(2,3)4)6-7-12-13(15)10(9-19)14(23-12)16(20)21/h6-7,18-19H,5,8-9H2,1-4H3,(H,20,21)