1-[[3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-fluoro-5-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]isonipecotic acid Formula: C20H23FN4O3 MolecularWeight: 386.420023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCC(CC3)C(=O)O)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H23FN4O3/c1-13-2-3-17(11-22-13)23-20(28)24-18-9-14(8-16(21)10-18)12-25-6-4-15(5-7-25)19(26)27/h2-3,8-11,15H,4-7,12H2,1H3,(H,26,27)(H2,23,24,28)