cyanomethyl (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)acrylic acid cyanomethyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C=CC(=O)OCC#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC#N)OC

InChI

InChI=1S/C16H18ClNO4/c1-11(2)10-22-16-13(17)8-12(9-14(16)20-3)4-5-15(19)21-7-6-18/h4-5,8-9,11H,7,10H2,1-3H3/b5-4+