[6-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] ethanoate

Systemtic Name: [6-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] ethanoate Openeye Name: [6-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-1,3-benzodioxol-5-yl] acetate CAS Name: acetic acid [6-[1,3-benzodioxol-5-yl-(2-pyridinylamino)methyl]-1,3-benzodioxol-5-yl] ester IUPAC Name: [6-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] acetate Traditional Name: acetic acid [6-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-1,3-benzodioxol-5-yl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5)OCO2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5)OCO2

InChI

InChI=1S/C22H18N2O6/c1-13(25)30-17-10-20-19(28-12-29-20)9-15(17)22(24-21-4-2-3-7-23-21)14-5-6-16-18(8-14)27-11-26-16/h2-10,22H,11-12H2,1H3,(H,23,24)