[(1R)-1-cyanoethyl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@H](C)C#N)OC

InChI

InChI=1S/C16H18ClNO4/c1-4-7-21-16-13(17)8-12(9-14(16)20-3)5-6-15(19)22-11(2)10-18/h5-6,8-9,11H,4,7H2,1-3H3/b6-5+/t11-/m1/s1