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

Systemtic Name: 4-[(3-butyl-5-oxidanylidene-1-phenethyl-1,2,4-triazol-4-yl)methyl]benzoic acid Openeye Name: 4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]benzoic acid CAS Name: 4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]benzoic acid IUPAC Name: 4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]benzoic acid Traditional Name: 4-[(3-butyl-5-keto-1-phenethyl-1,2,4-triazol-4-yl)methyl]benzoic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-2-3-9-20-23-25(15-14-17-7-5-4-6-8-17)22(28)24(20)16-18-10-12-19(13-11-18)21(26)27/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,26,27)