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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

InChI

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