ethanedioic acid; 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: 1-(2-isopropylphenoxy)-3-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-[4-(2-oxolanylmethyl)-1-piperazinyl]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: oxalic acid; 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: 1-(2-isopropylphenoxy)-3-[4-(tetrahydrofurfuryl)piperazino]propan-2-ol; oxalic acid Formula: C23H36N2O7 MolecularWeight: 452.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3CCCO3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3CCCO3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O3.C2H2O4/c1-17(2)20-7-3-4-8-21(20)26-16-18(24)14-22-9-11-23(12-10-22)15-19-6-5-13-25-19;3-1(4)2(5)6/h3-4,7-8,17-19,24H,5-6,9-16H2,1-2H3;(H,3,4)(H,5,6)