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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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)OC(C)C)OC

InChI

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