2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methyl-quinoline-4-carboxylic acid CAS Name: 2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methylquinoline-4-carboxylic acid Traditional Name: 2-[4-[2-cyanoethyl(methyl)amino]phenyl]-7-methyl-cinchoninic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)N(C)CCC#N)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)N(C)CCC#N)C(=O)O

InChI

InChI=1S/C21H19N3O2/c1-14-4-9-17-18(21(25)26)13-19(23-20(17)12-14)15-5-7-16(8-6-15)24(2)11-3-10-22/h4-9,12-13H,3,11H2,1-2H3,(H,25,26)