2-[4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenol; ethanedioic acid

Systemtic Name: 2-[4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenol; ethanedioic acid Openeye Name: 2-[4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]phenol; oxalic acid CAS Name: 2-[4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-1-piperazinyl]phenol; oxalic acid IUPAC Name: 2-[4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol; oxalic acid Traditional Name: 2-[4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazino]phenol; oxalic acid Formula: C25H33ClN2O7 MolecularWeight: 508.99172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=C3O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=C3O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31ClN2O3.C2H2O4/c1-16(2)19-13-20(24)17(3)12-23(19)29-15-18(27)14-25-8-10-26(11-9-25)21-6-4-5-7-22(21)28;3-1(4)2(5)6/h4-7,12-13,16,18,27-28H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)