[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic 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] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC[C@H]3COC4=CC=CC=C4O3)N=C1C

InChI

InChI=1S/C22H21N3O5/c1-13-14(2)25-18-9-15(7-8-17(18)24-13)22(27)29-12-21(26)23-10-16-11-28-19-5-3-4-6-20(19)30-16/h3-9,16H,10-12H2,1-2H3,(H,23,26)/t16-/m0/s1