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

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

Systemtic Name:5-[5-(1,1-dimethoxypentyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid
Openeye Name:5-[5-(1,1-dimethoxypentyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid
CAS Name:5-[5-(1,1-dimethoxypentyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid
IUPAC Name:5-[5-(1,1-dimethoxypentyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid
Traditional Name:5-[5-(1,1-dimethoxypentyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid
Formula: C25H32N4O4
MolecularWeight: 452.54598
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NN(C(=N1)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3)CCC)(OC)OC


Isomeric SMILES

CCCCC(C1=NN(C(=N1)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3)CCC)(OC)OC


InChI

InChI=1S/C25H32N4O4/c1-6-8-14-25(32-4,33-5)24-27-22(29(28-24)15-7-2)19-16-26-21(17(3)20(19)23(30)31)18-12-10-9-11-13-18/h9-13,16H,6-8,14-15H2,1-5H3,(H,30,31)


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