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

Systemtic Name: 2-[4-[(1,3-dibutyl-5-oxidanylidene-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(1,3-dibutyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(1,3-dibutyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(1,3-dibutyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(1,3-dibutyl-5-keto-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC

InChI

InChI=1S/C24H29N3O3/c1-3-5-11-22-25-27(16-6-4-2)24(30)26(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23(28)29/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,28,29)