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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O6/c1-14(24)22-16-9-7-15(8-10-16)21(26)28-13-20(25)23(2)11-17-12-27-18-5-3-4-6-19(18)29-17/h3-10,17H,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1