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

Systemtic Name: 5-[5-(1,1-dimethoxypentyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-[5-(1,1-dimethoxypentyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 5-[5-(1,1-dimethoxypentyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-[5-(1,1-dimethoxypentyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-[2-amyl-5-(1,1-dimethoxypentyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-nicotinic acid Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(CCCC)(OC)OC)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(CCCC)(OC)OC)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4O4/c1-6-8-13-17-31-24(29-26(30-31)27(34-4,35-5)16-9-7-2)21-18-28-23(20-14-11-10-12-15-20)22(19(21)3)25(32)33/h10-12,14-15,18H,6-9,13,16-17H2,1-5H3,(H,32,33)