propyl 4-[2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propoxy]benzoate hydrochloride

Systemtic Name: propyl 4-[2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propoxy]benzoate hydrochloride Openeye Name: propyl 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxy-propoxy]benzoate hydrochloride CAS Name: 4-[3-(4-benzoyl-1-piperazinyl)-2-hydroxypropoxy]benzoic acid propyl ester hydrochloride IUPAC Name: propyl 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]benzoate hydrochloride Traditional Name: 4-[3-(4-benzoylpiperazino)-2-hydroxy-propoxy]benzoic acid propyl ester hydrochloride Formula: C24H31ClN2O5 MolecularWeight: 462.96634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5.ClH/c1-2-16-30-24(29)20-8-10-22(11-9-20)31-18-21(27)17-25-12-14-26(15-13-25)23(28)19-6-4-3-5-7-19;/h3-11,21,27H,2,12-18H2,1H3;1H