2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-but-3-enyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-amyl-2-but-3-enyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC=C

Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC=C

InChI

InChI=1S/C25H29N3O2/c1-3-5-7-12-23-26-24(28(27-23)17-6-4-2)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)25(29)30/h4,8-11,13-16H,2-3,5-7,12,17-18H2,1H3,(H,29,30)