(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

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