5-[[butan-2-yl(ethyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[butan-2-yl(ethyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[ethyl(sec-butyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[butan-2-yl(ethyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[butan-2-yl(ethyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[ethyl(sec-butyl)amino]methyl]-2-furoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC)CC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCC(C)N(CC)CC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C12H19NO3/c1-4-9(3)13(5-2)8-10-6-7-11(16-10)12(14)15/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)