1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-2-quinolyl]isonipecotic acid Formula: C24H23ClN4O3 MolecularWeight: 450.91742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)C#N)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)C#N)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C24H23ClN4O3/c1-32-22-5-3-16(11-19(22)25)14-27-21-12-23(29-8-6-17(7-9-29)24(30)31)28-20-4-2-15(13-26)10-18(20)21/h2-5,10-12,17H,6-9,14H2,1H3,(H,27,28)(H,30,31)