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

Systemtic Name: 2-[4-[1-(3-tert-butyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[1-(3-tert-butyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[1-(3-tert-butyl-4-hydroxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[1-(3-tert-butyl-4-hydroxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[1-(3-tert-butyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C24H32N2O5 MolecularWeight: 428.52128

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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)O)C(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5/c1-16(27)22(31-17-9-10-21(28)19(15-17)24(2,3)4)26-13-11-25(12-14-26)20-8-6-5-7-18(20)23(29)30/h5-10,15-16,22,27-28H,11-14H2,1-4H3,(H,29,30)