2-[[4-(4-fluorophenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-(4-fluorophenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid CAS Name: 2-[[4-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)phenyl]methyl-propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)phenyl]methyl-propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)benzyl]-propyl-amino]nicotinic acid Formula: C23H21FN6O2 MolecularWeight: 432.450243

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)C2=CC=C(C=C2)F)C3=NNN=N3)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)C2=CC=C(C=C2)F)C3=NNN=N3)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C23H21FN6O2/c1-2-12-30(22-19(23(31)32)4-3-11-25-22)14-15-5-10-18(16-6-8-17(24)9-7-16)20(13-15)21-26-28-29-27-21/h3-11,13H,2,12,14H2,1H3,(H,31,32)(H,26,27,28,29)