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

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5/c1-13-6-8-14(9-7-13)19(22)24-12-18(21)20-10-15-11-23-16-4-2-3-5-17(16)25-15/h2-9,15H,10-12H2,1H3,(H,20,21)/t15-/m0/s1