(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(2-hydroxyphenyl)piperazino]methanone Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=CC=C3O)OCC

InChI

InChI=1S/C22H27ClN2O4/c1-3-13-29-21-17(23)14-16(15-20(21)28-4-2)22(27)25-11-9-24(10-12-25)18-7-5-6-8-19(18)26/h5-8,14-15,26H,3-4,9-13H2,1-2H3