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

Systemtic Name: 3-[[methyl(pentan-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[1-ethylpropyl(methyl)amino]methyl]benzofuran-2-carboxylic acid CAS Name: 3-[[methyl(pentan-3-yl)amino]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[methyl(pentan-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[1-ethylpropyl(methyl)amino]methyl]coumarilic acid Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C)CC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCC(CC)N(C)CC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-4-11(5-2)17(3)10-13-12-8-6-7-9-14(12)20-15(13)16(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)