3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)propanenitrile

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)propanenitrile Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)propanenitrile CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)propanenitrile IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)propanenitrile Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)propionitrile Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC#N)Br)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC#N)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO2/c1-20-16-11-14(8-5-9-19)10-15(18)17(16)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8,12H2,1H3