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

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

CCC(C)N1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(C)N1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

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