5-[[2-cyanoethyl(phenyl)amino]methyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[[2-cyanoethyl(phenyl)amino]methyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[[N-(2-cyanoethyl)anilino]methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[N-(2-cyanoethyl)anilino]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[[N-(2-cyanoethyl)anilino]methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[N-(2-cyanoethyl)anilino]methyl]-2-methyl-3-furoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(CCC#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN(CCC#N)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c1-12-15(16(19)20)10-14(21-12)11-18(9-5-8-17)13-6-3-2-4-7-13/h2-4,6-7,10H,5,9,11H2,1H3,(H,19,20)