(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl quinoline-2-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl quinoline-2-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=NC4=CC=CC=C4C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=NC4=CC=CC=C4C=C3)Cl)OC1

InChI

InChI=1S/C20H16ClNO4/c21-15-10-13(11-18-19(15)25-9-3-8-24-18)12-26-20(23)17-7-6-14-4-1-2-5-16(14)22-17/h1-2,4-7,10-11H,3,8-9,12H2