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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

Isomeric SMILES

CCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

InChI

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