[(1R)-1-cyanoethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C14H16BrNO4 MolecularWeight: 342.18514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)O[C@H](C)C#N)OC

InChI

InChI=1S/C14H16BrNO4/c1-4-5-19-13-11(15)6-10(7-12(13)18-3)14(17)20-9(2)8-16/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1