(E)-3-[2-[2-cyanoethyl(methyl)amino]quinolin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[2-cyanoethyl(methyl)amino]quinolin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-cyanoethyl(methyl)amino]-3-quinolyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-cyanoethyl(methyl)amino]-3-quinolinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[2-cyanoethyl(methyl)amino]quinolin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-cyanoethyl(methyl)amino]-3-quinolyl]acrylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NC2=CC=CC=C2C=C1C=CC(=O)O

Isomeric SMILES

CN(CCC#N)C1=NC2=CC=CC=C2C=C1/C=C/C(=O)O

InChI

InChI=1S/C16H15N3O2/c1-19(10-4-9-17)16-13(7-8-15(20)21)11-12-5-2-3-6-14(12)18-16/h2-3,5-8,11H,4,10H2,1H3,(H,20,21)/b8-7+