[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O6/c1-14(24)22-17-6-4-16(5-7-17)21(26)29-13-20(25)23(2)12-15-3-8-18-19(11-15)28-10-9-27-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)