2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]ethanoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate CAS Name: 2-[4-hydroxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate Traditional Name: 2-[4-hydroxy-3-[(4-methylpiperazino)methyl]phenyl]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC(=C2)CC(=O)OCC3COC4=CC=CC=C4O3)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC(=C2)CC(=O)OCC3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C23H28N2O5/c1-24-8-10-25(11-9-24)14-18-12-17(6-7-20(18)26)13-23(27)29-16-19-15-28-21-4-2-3-5-22(21)30-19/h2-7,12,19,26H,8-11,13-16H2,1H3