(2-chloranylquinolin-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: (2-chloro-3-quinolyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H18ClNO4 MolecularWeight: 395.83562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO4/c23-22-17(13-16-4-1-2-5-18(16)24-22)14-28-21(25)9-7-15-6-8-19-20(12-15)27-11-3-10-26-19/h1-2,4-9,12-13H,3,10-11,14H2/b9-7+