4-[2-cyanoethyl(methyl)amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoro-benzoic acid CAS Name: 4-[2-cyanoethyl(methyl)amino]-3-fluorobenzoic acid IUPAC Name: 4-[2-cyanoethyl(methyl)amino]-3-fluorobenzoic acid Traditional Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoro-benzoic acid Formula: C11H11FN2O2 MolecularWeight: 222.215643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)C(=O)O)F

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C11H11FN2O2/c1-14(6-2-5-13)10-4-3-8(11(15)16)7-9(10)12/h3-4,7H,2,6H2,1H3,(H,15,16)