(E)-3-[4-(diethylamino)-3-fluoranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(diethylamino)-3-fluoranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(diethylamino)-3-fluoro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(diethylamino)-3-fluorophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(diethylamino)-3-fluorophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(diethylamino)-3-fluoro-phenyl]acrylic acid Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C=CC(=O)O)F

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)/C=C/C(=O)O)F

InChI

InChI=1S/C13H16FNO2/c1-3-15(4-2)12-7-5-10(9-11(12)14)6-8-13(16)17/h5-9H,3-4H2,1-2H3,(H,16,17)/b8-6+