[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC[C@H]2COC3=CC=CC=C3O2)O

InChI

InChI=1S/C19H19NO6/c1-12-6-7-14(15(21)8-12)19(23)25-11-18(22)20-9-13-10-24-16-4-2-3-5-17(16)26-13/h2-8,13,21H,9-11H2,1H3,(H,20,22)/t13-/m0/s1