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

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-3-(3-ethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid Formula: C23H29ClN2O6 MolecularWeight: 464.93916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27ClN2O2.C2H2O4/c1-2-17-6-5-7-19(14-17)26-16-18(25)15-23-10-12-24(13-11-23)21-9-4-3-8-20(21)22;3-1(4)2(5)6/h3-9,14,18,25H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)