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

Systemtic Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H27N3O2/c1-2-18-30-26(28-25(29-30)17-14-20-8-4-3-5-9-20)19-21-12-15-22(16-13-21)23-10-6-7-11-24(23)27(31)32/h3-13,15-16H,2,14,17-19H2,1H3,(H,31,32)