1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-(4-o-phenetylpiperazino)propan-2-ol; oxalic acid Formula: C27H37ClN2O7 MolecularWeight: 537.04488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C(=C3)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C(=C3)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H35ClN2O3.C2H2O4/c1-5-30-24-9-7-6-8-23(24)28-12-10-27(11-13-28)16-20(29)17-31-25-14-19(4)22(26)15-21(25)18(2)3;3-1(4)2(5)6/h6-9,14-15,18,20,29H,5,10-13,16-17H2,1-4H3;(H,3,4)(H,5,6)