2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)CCC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)CCC)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O3/c1-3-5-17-27-31-32-29(24-15-10-7-11-16-24)33(27)21-22-18-19-26(25(20-22)12-4-2)36-28(30(34)35)23-13-8-6-9-14-23/h6-11,13-16,18-20,28H,3-5,12,17,21H2,1-2H3,(H,34,35)