ethanedioic acid; 2-methyl-1-[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]propan-1-one

Systemtic Name: ethanedioic acid; 2-methyl-1-[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-1-yl]-2-methyl-propan-1-one; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazinyl]-2-methyl-1-propanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]-2-methylpropan-1-one; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazino]-2-methyl-propan-1-one; oxalic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O3.C2H2O4/c1-15(2)18-7-5-6-8-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16(3)4;3-1(4)2(5)6/h5-8,15-17,23H,9-14H2,1-4H3;(H,3,4)(H,5,6)