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

Systemtic Name: 4-[1-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[1-(3-fluoro-6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 4-[1-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[1-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[1-(3-fluoro-6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C24H31FN2O5 MolecularWeight: 446.511743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCN(CC1C(=O)O)C(=O)OC(C)(C)C)C2=C3C=C(C=CC3=NC=C2F)OC

Isomeric SMILES

CCC(C1CCN(CC1C(=O)O)C(=O)OC(C)(C)C)C2=C3C=C(C=CC3=NC=C2F)OC

InChI

InChI=1S/C24H31FN2O5/c1-6-15(21-17-11-14(31-5)7-8-20(17)26-12-19(21)25)16-9-10-27(13-18(16)22(28)29)23(30)32-24(2,3)4/h7-8,11-12,15-16,18H,6,9-10,13H2,1-5H3,(H,28,29)