[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic 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] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-13-7-8-14(2)16(9-13)20(23)25-12-19(22)21-10-15-11-24-17-5-3-4-6-18(17)26-15/h3-9,15H,10-12H2,1-2H3,(H,21,22)/t15-/m0/s1