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

Systemtic Name: 2-[propyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-4-carboxylic acid Openeye Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-4-carboxylic acid CAS Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-4-pyridinecarboxylic acid IUPAC Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-4-carboxylic acid Traditional Name: 2-[propyl-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]amino]isonicotinic acid Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=CC(=C4)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H22N6O2/c1-2-13-29(21-14-18(23(30)31)11-12-24-21)15-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-25-27-28-26-22/h3-12,14H,2,13,15H2,1H3,(H,30,31)(H,25,26,27,28)