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

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=CC(=O)OC(C)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-12(2)11-21-15-7-5-14(9-16(15)20-4)6-8-17(19)22-13(3)10-18/h5-9,12-13H,11H2,1-4H3/b8-6+/t13-/m1/s1