6-[[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]amino]nicotinic acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28FN3O4/c1-3-29-18-11-15(12-19(21(18)23)30-4-2)14-26-9-7-17(8-10-26)25-20-6-5-16(13-24-20)22(27)28/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,24,25)(H,27,28)