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

Systemtic Name: 2-[4-[1-(3-tert-butyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[1-(4-benzyloxy-3-tert-butyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[1-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[1-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[1-(4-benzoxy-3-tert-butyl-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)(C)C)O

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)(C)C)O

InChI

InChI=1S/C31H38N2O5/c1-22(34)29(33-18-16-32(17-19-33)27-13-9-8-12-25(27)30(35)36)38-24-14-15-28(26(20-24)31(2,3)4)37-21-23-10-6-5-7-11-23/h5-15,20,22,29,34H,16-19,21H2,1-4H3,(H,35,36)