(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3COC4=CC=CC=C4O3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H]3COC4=CC=CC=C4O3)Cl)C

InChI

InChI=1S/C21H18ClNO4/c1-12-7-8-14-9-15(20(22)23-19(14)13(12)2)10-26-21(24)18-11-25-16-5-3-4-6-17(16)27-18/h3-9,18H,10-11H2,1-2H3/t18-/m1/s1