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

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=CC(=C(C(=C1)Cl)OCC(C)C)OC

InChI

InChI=1S/C17H20ClNO4/c1-11(2)10-22-17-14(18)7-13(8-15(17)21-4)5-6-16(20)23-12(3)9-19/h5-8,11-12H,10H2,1-4H3/b6-5+/t12-/m1/s1