2-[[4-(cyanomethyl)phenyl]amino]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[[4-(cyanomethyl)phenyl]amino]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[4-(cyanomethyl)anilino]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[4-(cyanomethyl)anilino]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(cyanomethyl)anilino]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[4-(cyanomethyl)anilino]-6-methyl-cinchoninic acid Formula: C19H15N3O2 MolecularWeight: 317.3413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H15N3O2/c1-12-2-7-17-15(10-12)16(19(23)24)11-18(22-17)21-14-5-3-13(4-6-14)8-9-20/h2-7,10-11H,8H2,1H3,(H,21,22)(H,23,24)