5-bromanyl-3-methoxy-2-(3-phenylpropoxy)benzenecarbonitrile

Systemtic Name: 5-bromanyl-3-methoxy-2-(3-phenylpropoxy)benzenecarbonitrile Openeye Name: 5-bromo-3-methoxy-2-(3-phenylpropoxy)benzonitrile CAS Name: 5-bromo-3-methoxy-2-(3-phenylpropoxy)benzonitrile IUPAC Name: 5-bromo-3-methoxy-2-(3-phenylpropoxy)benzonitrile Traditional Name: 5-bromo-3-methoxy-2-(3-phenylpropoxy)benzonitrile Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C#N)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C#N)OCCCC2=CC=CC=C2

InChI

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