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

Systemtic Name: 2-[4-[(3-cyclohexyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-cyclohexyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-cyclohexyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-cyclohexyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-cyclohexyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4CCCCC4

Isomeric SMILES

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4CCCCC4

InChI

InChI=1S/C25H29N3O2/c1-2-8-23-26-24(20-9-4-3-5-10-20)27-28(23)17-18-13-15-19(16-14-18)21-11-6-7-12-22(21)25(29)30/h6-7,11-16,20H,2-5,8-10,17H2,1H3,(H,29,30)