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

Systemtic Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C25H34N2O5/c1-25(2,3)21-15-19(31-4)9-10-23(21)32-17-18(28)16-26-11-13-27(14-12-26)22-8-6-5-7-20(22)24(29)30/h5-10,15,18,28H,11-14,16-17H2,1-4H3,(H,29,30)