3-[[cyclohexyl(methyl)amino]methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[[cyclohexyl(methyl)amino]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[cyclohexyl(methyl)amino]methyl]benzofuran-2-carboxylic acid CAS Name: 3-[[cyclohexyl(methyl)amino]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[cyclohexyl(methyl)amino]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[cyclohexyl(methyl)amino]methyl]coumarilic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(OC2=CC=CC=C21)C(=O)O)C3CCCCC3

Isomeric SMILES

CN(CC1=C(OC2=CC=CC=C21)C(=O)O)C3CCCCC3

InChI

InChI=1S/C17H21NO3/c1-18(12-7-3-2-4-8-12)11-14-13-9-5-6-10-15(13)21-16(14)17(19)20/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,19,20)