3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methoxy]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methoxy]pyrrolidine-1-carboxylic acid Openeye Name: 3-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-3-quinolyl]methoxy]pyrrolidine-1-carboxylic acid CAS Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethyl-3-quinolinyl]methoxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethylquinolin-3-yl]methoxy]pyrrolidine-1-carboxylic acid Traditional Name: 3-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-8-ethyl-3-quinolyl]methoxy]pyrrolidine-1-carboxylic acid Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COC3CCN(C3)C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COC3CCN(C3)C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C26H27ClN4O4/c1-3-18-8-17(11-28)9-21-24(18)30-13-19(15-35-20-6-7-31(14-20)26(32)33)25(21)29-12-16-4-5-23(34-2)22(27)10-16/h4-5,8-10,13,20H,3,6-7,12,14-15H2,1-2H3,(H,29,30)(H,32,33)