ethyl 4-[4-(4-chlorophenyl)-2-oxidanyl-4-piperazin-1-yl-butoxy]benzoate hydrochloride

Systemtic Name: ethyl 4-[4-(4-chlorophenyl)-2-oxidanyl-4-piperazin-1-yl-butoxy]benzoate hydrochloride Openeye Name: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-yl-butoxy]benzoate hydrochloride CAS Name: 4-[4-(4-chlorophenyl)-2-hydroxy-4-(1-piperazinyl)butoxy]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-ylbutoxy]benzoate hydrochloride Traditional Name: 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazino-butoxy]benzoic acid ethyl ester hydrochloride Formula: C23H30Cl2N2O4 MolecularWeight: 469.4013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CC(C2=CC=C(C=C2)Cl)N3CCNCC3)O.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CC(C2=CC=C(C=C2)Cl)N3CCNCC3)O.Cl

InChI

InChI=1S/C23H29ClN2O4.ClH/c1-2-29-23(28)18-5-9-21(10-6-18)30-16-20(27)15-22(26-13-11-25-12-14-26)17-3-7-19(24)8-4-17;/h3-10,20,22,25,27H,2,11-16H2,1H3;1H