(2-chloranylquinolin-3-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H16ClNO4 MolecularWeight: 369.79834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)OC1

InChI

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