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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

InChI

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