ethanoic acid; 1-[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one

Systemtic Name: ethanoic acid; 1-[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one Openeye Name: acetic acid; 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one CAS Name: acetic acid; 1-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-1-propanone IUPAC Name: acetic acid; 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one Traditional Name: acetic acid; 1-[4-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]propan-1-one Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3.C2H4O2/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19;1-2(3)4/h3-11,20,25H,2,12-17H2,1H3;1H3,(H,3,4)