2-[4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)piperazino]phenoxy]-2-methyl-propionic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C29H40N2O5/c1-27(2,3)22-17-19(18-23(24(22)32)28(4,5)6)25(33)31-15-13-30(14-16-31)20-9-11-21(12-10-20)36-29(7,8)26(34)35/h9-12,17-18,32H,13-16H2,1-8H3,(H,34,35)