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

Systemtic Name: 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-3-5-15-21-25-22(16-6-4-2)27(26-21)17-19-13-10-14-20(23(19)24(28)29)18-11-8-7-9-12-18/h7-14H,3-6,15-17H2,1-2H3,(H,28,29)