2-[4-[3-[4-ethyl-5-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-[4-ethyl-5-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[4-ethyl-5-oxo-1-[(3-phenoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[4-ethyl-5-oxo-1-[(3-phenoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[4-ethyl-5-oxo-1-[(3-phenoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[4-ethyl-5-keto-1-(3-phenoxybenzyl)-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propionic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)CCCC4=CC=C(C=C4)OC(C)(C)C(=O)O

Isomeric SMILES

CCN1C(=NN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)CCCC4=CC=C(C=C4)OC(C)(C)C(=O)O

InChI

InChI=1S/C30H33N3O5/c1-4-32-27(15-9-10-22-16-18-25(19-17-22)38-30(2,3)28(34)35)31-33(29(32)36)21-23-11-8-14-26(20-23)37-24-12-6-5-7-13-24/h5-8,11-14,16-20H,4,9-10,15,21H2,1-3H3,(H,34,35)