3-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propoxy]carbonylpyrrolidine-1-carboxylic acid

Systemtic Name: 3-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propoxy]carbonylpyrrolidine-1-carboxylic acid Openeye Name: 3-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propoxy]carbonylpyrrolidine-1-carboxylic acid CAS Name: 3-[[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropoxy]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropoxy]carbonylpyrrolidine-1-carboxylic acid Traditional Name: 3-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propoxy]carbonylpyrrolidine-1-carboxylic acid Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCOC(=O)C3CCN(C3)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCOC(=O)C3CCN(C3)C(=O)O)O

InChI

InChI=1S/C19H21ClN2O6/c1-27-12-2-3-15-13(8-12)17(14(20)9-21-15)16(23)5-7-28-18(24)11-4-6-22(10-11)19(25)26/h2-3,8-9,11,16,23H,4-7,10H2,1H3,(H,25,26)