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

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

Systemtic Name:4-[[5-(cyclohexylmethyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid
Openeye Name:4-[[5-(cyclohexylmethyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid
CAS Name:4-[[5-(cyclohexylmethyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid
IUPAC Name:4-[[5-(cyclohexylmethyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-3-carboxylic acid
Traditional Name:4-[[5-(cyclohexylmethyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-nicotinic acid
Formula: C25H30N4O2
MolecularWeight: 418.5313
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CC2CCCCC2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O


Isomeric SMILES

CCCN1C(=NC(=N1)CC2CCCCC2)CC3=C(C(=NC=C3)C4=CC=CC=C4)C(=O)O


InChI

InChI=1S/C25H30N4O2/c1-2-15-29-22(27-21(28-29)16-18-9-5-3-6-10-18)17-20-13-14-26-24(23(20)25(30)31)19-11-7-4-8-12-19/h4,7-8,11-14,18H,2-3,5-6,9-10,15-17H2,1H3,(H,30,31)


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