2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methoxymethyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinolin-3-yl]methoxymethyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-3-quinolyl]methoxymethyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethyl-3-quinolinyl]methoxymethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethylquinolin-3-yl]methoxymethyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-8-ethyl-3-quinolyl]methoxymethyl]pyrrolidine-1-carboxylic acid Formula: C27H29ClN4O4 MolecularWeight: 508.99656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3C(=O)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C27H29ClN4O4/c1-3-19-9-18(12-29)10-22-25(19)31-14-20(15-36-16-21-5-4-8-32(21)27(33)34)26(22)30-13-17-6-7-24(35-2)23(28)11-17/h6-7,9-11,14,21H,3-5,8,13,15-16H2,1-2H3,(H,30,31)(H,33,34)