methyl 4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(benzothiophen-3-ylmethyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CSC4=CC=CC=C43)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CSC4=CC=CC=C43)O

InChI

InChI=1S/C24H28N2O4S/c1-29-24(28)18-6-8-21(9-7-18)30-16-20(27)15-26-12-10-25(11-13-26)14-19-17-31-23-5-3-2-4-22(19)23/h2-9,17,20,27H,10-16H2,1H3