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

Systemtic Name: 5-[5-(1,1-dimethoxypropyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-[5-(1,1-dimethoxypropyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[5-(1,1-dimethoxypropyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-[5-(1,1-dimethoxypropyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[5-(1,1-dimethoxypropyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(CC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC(=N1)C(CC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-6-13-27-20(25-22(26-27)23(7-2,30-4)31-5)17-14-24-19(15(3)18(17)21(28)29)16-11-9-8-10-12-16/h8-12,14H,6-7,13H2,1-5H3,(H,28,29)