4-[[2-pentyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid

Systemtic Name: 4-[[2-pentyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(5-benzyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[[2-pentyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(5-benzyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(2-amyl-5-benzyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-2-3-10-17-31-24(29-23(30-31)18-20-11-6-4-7-12-20)19-22-15-16-28-26(27(32)33)25(22)21-13-8-5-9-14-21/h4-9,11-16H,2-3,10,17-19H2,1H3,(H,32,33)