(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H20ClNO4/c1-3-18-13(2)20(17-6-4-5-7-19(17)24-18)22(25)27-11-15-9-16(23)8-14-10-26-12-28-21(14)15/h4-9H,3,10-12H2,1-2H3