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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(OC2=CC=CC=C21)C(=O)O)CC(C)C

Isomeric SMILES

CCN(CC1=C(OC2=CC=CC=C21)C(=O)O)CC(C)C

InChI

InChI=1S/C16H21NO3/c1-4-17(9-11(2)3)10-13-12-7-5-6-8-14(12)20-15(13)16(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)