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

Systemtic Name: 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=C(C=C(C=C1)OC)C(C)(C)C)N2CCN(CC2)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC(C(C1=C(C=C(C=C1)OC)C(C)(C)C)N2CCN(CC2)C3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C25H34N2O4/c1-17(28)23(19-11-10-18(31-5)16-21(19)25(2,3)4)27-14-12-26(13-15-27)22-9-7-6-8-20(22)24(29)30/h6-11,16-17,23,28H,12-15H2,1-5H3,(H,29,30)