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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[3-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]acetate CAS Name: 2-[4-hydroxy-3-(4-methyl-1-piperazinyl)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)phenyl]acetate Traditional Name: 2-[4-hydroxy-3-(4-methylpiperazino)phenyl]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-23-8-10-24(11-9-23)18-12-16(6-7-19(18)25)13-22(26)28-15-17-14-27-20-4-2-3-5-21(20)29-17/h2-7,12,17,25H,8-11,13-15H2,1H3