2-[[5-(phenylcarbonyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-3-pyridin-3-yl-benzoic acid

Systemtic Name: 2-[[5-(phenylcarbonyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-3-pyridin-3-yl-benzoic acid Openeye Name: 2-[(5-benzoyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-(3-pyridyl)benzoic acid CAS Name: 2-[(5-benzoyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-(3-pyridinyl)benzoic acid IUPAC Name: 2-[(5-benzoyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylbenzoic acid Traditional Name: 2-[(5-benzoyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-(3-pyridyl)benzoic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)CC3=C(C=CC=C3C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)CC3=C(C=CC=C3C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N4O3/c1-2-14-29-22(27-24(28-29)23(30)17-8-4-3-5-9-17)15-21-19(18-10-7-13-26-16-18)11-6-12-20(21)25(31)32/h3-13,16H,2,14-15H2,1H3,(H,31,32)