methyl 4-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(4-chlorobenzoyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5/c1-29-22(28)17-4-8-20(9-5-17)30-15-19(26)14-24-10-12-25(13-11-24)21(27)16-2-6-18(23)7-3-16/h2-9,19,26H,10-15H2,1H3