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

Systemtic Name: 2-[4-[(5-butyl-3-cyclohexylcarbonyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-butyl-3-(cyclohexanecarbonyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-3-[cyclohexyl(oxo)methyl]-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butyl-3-(cyclohexanecarbonyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-butyl-3-(cyclohexanecarbonyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

InChI

InChI=1S/C27H31N3O3/c1-2-3-13-24-28-26(25(31)21-9-5-4-6-10-21)29-30(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27(32)33/h7-8,11-12,14-17,21H,2-6,9-10,13,18H2,1H3,(H,32,33)