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

Systemtic Name: [(1R)-1-cyanoethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H16BrNO4/c1-12(10-20)24-18(21)14-8-15(19)17(16(9-14)22-2)23-11-13-6-4-3-5-7-13/h3-9,12H,11H2,1-2H3/t12-/m1/s1