methyl 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C24H30N2O6/c1-29-24(28)19-3-5-21(6-4-19)32-17-20(27)16-26-10-8-25(9-11-26)15-18-2-7-22-23(14-18)31-13-12-30-22/h2-7,14,20,27H,8-13,15-17H2,1H3