4-[4-(3-chloranylpropoxy)-3-methyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-chloranylpropoxy)-3-methyl-phenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-chloropropoxy)-3-methyl-phenyl]benzonitrile CAS Name: 4-[4-(3-chloropropoxy)-3-methylphenyl]benzonitrile IUPAC Name: 4-[4-(3-chloropropoxy)-3-methylphenyl]benzonitrile Traditional Name: 4-[4-(3-chloropropoxy)-3-methyl-phenyl]benzonitrile Formula: C17H16ClNO MolecularWeight: 285.76804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)OCCCCl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)OCCCCl

InChI

InChI=1S/C17H16ClNO/c1-13-11-16(7-8-17(13)20-10-2-9-18)15-5-3-14(12-19)4-6-15/h3-8,11H,2,9-10H2,1H3