1-[(3-fluoranyl-4-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)F

InChI

InChI=1S/C23H23FN2O3/c1-29-21-9-8-16(12-19(21)24)22(26-10-4-6-17(14-26)23(27)28)18-11-15-5-2-3-7-20(15)25-13-18/h2-3,5,7-9,11-13,17,22H,4,6,10,14H2,1H3,(H,27,28)