4-[1-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[1-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[1-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]piperidine-3-carboxylic acid CAS Name: 4-[1-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[1-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[1-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]nipecotic acid Formula: C24H31ClN2O6 MolecularWeight: 478.96574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)C(CCO)C2=C3C=C(C=CC3=NC=C2Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)C(CCO)C2=C3C=C(C=CC3=NC=C2Cl)OC

InChI

InChI=1S/C24H31ClN2O6/c1-24(2,3)33-23(31)27-9-7-15(18(13-27)22(29)30)16(8-10-28)21-17-11-14(32-4)5-6-20(17)26-12-19(21)25/h5-6,11-12,15-16,18,28H,7-10,13H2,1-4H3,(H,29,30)