2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC

InChI

InChI=1S/C23H27N3O2/c1-3-5-15-21-24-20(10-4-2)25-26(21)16-18-13-9-14-19(22(18)23(27)28)17-11-7-6-8-12-17/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,27,28)