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

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4/c1-4-8-22-17-14(18)9-13(10-15(17)21-5-2)6-7-16(20)23-12(3)11-19/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+/t12-/m1/s1