ethanedioic acid; 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol Openeye Name: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-(3-ethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(3-ethylphenoxy)-3-(4-o-phenetylpiperazino)propan-2-ol; oxalic acid Formula: C25H34N2O7 MolecularWeight: 474.54666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OCC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O3.C2H2O4/c1-3-19-8-7-9-21(16-19)28-18-20(26)17-24-12-14-25(15-13-24)22-10-5-6-11-23(22)27-4-2;3-1(4)2(5)6/h5-11,16,20,26H,3-4,12-15,17-18H2,1-2H3;(H,3,4)(H,5,6)