[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-dimethylquinoline-3-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H19NO4/c1-13-7-8-18-15(9-13)10-17(14(2)22-18)21(23)25-12-16-11-24-19-5-3-4-6-20(19)26-16/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1