2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]benzoic acid CAS Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-methyl-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]benzoic acid Traditional Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-3-methyl-piperazino]benzoic acid Formula: C26H36N2O5 MolecularWeight: 456.57444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1CN(CCN1CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H36N2O5/c1-18-15-28(23-9-7-6-8-21(23)25(30)31)13-12-27(18)16-19(29)17-33-24-11-10-20(32-5)14-22(24)26(2,3)4/h6-11,14,18-19,29H,12-13,15-17H2,1-5H3,(H,30,31)