(2-chloranylquinolin-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2-chloro-3-quinolyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC3=CC=CC=C3N=C2Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)OCC#N

InChI

InChI=1S/C22H17ClN2O4/c1-27-20-12-15(6-8-19(20)28-11-10-24)7-9-21(26)29-14-17-13-16-4-2-3-5-18(16)25-22(17)23/h2-9,12-13H,11,14H2,1H3/b9-7+