2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-3-quinolyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethyl-3-quinolinyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethylquinolin-3-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-8-ethyl-3-quinolyl]methyl]proline Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)CC3(CCCN3)C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)CC3(CCCN3)C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C26H27ClN4O3/c1-3-18-9-17(13-28)10-20-23(18)30-15-19(12-26(25(32)33)7-4-8-31-26)24(20)29-14-16-5-6-22(34-2)21(27)11-16/h5-6,9-11,15,31H,3-4,7-8,12,14H2,1-2H3,(H,29,30)(H,32,33)