2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Openeye Name: 2-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]methylamino]quinoline-4-carboxylic acid CAS Name: 2-[[1-[(2-fluorophenyl)methyl]-4-piperidinyl]methylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Traditional Name: 2-[[1-(2-fluorobenzyl)-4-piperidyl]methylamino]cinchoninic acid Formula: C23H24FN3O2 MolecularWeight: 393.453963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC3=CC=CC=C3C(=C2)C(=O)O)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCC1CNC2=NC3=CC=CC=C3C(=C2)C(=O)O)CC4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O2/c24-20-7-3-1-5-17(20)15-27-11-9-16(10-12-27)14-25-22-13-19(23(28)29)18-6-2-4-8-21(18)26-22/h1-8,13,16H,9-12,14-15H2,(H,25,26)(H,28,29)