3-methoxy-4-(3-methylbutoxy)benzenecarbonitrile

Systemtic Name: 3-methoxy-4-(3-methylbutoxy)benzenecarbonitrile Openeye Name: 4-isopentyloxy-3-methoxy-benzonitrile CAS Name: 3-methoxy-4-(3-methylbutoxy)benzonitrile IUPAC Name: 3-methoxy-4-(3-methylbutoxy)benzonitrile Traditional Name: 4-isoamoxy-3-methoxy-benzonitrile Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C#N)OC

InChI

InChI=1S/C13H17NO2/c1-10(2)6-7-16-12-5-4-11(9-14)8-13(12)15-3/h4-5,8,10H,6-7H2,1-3H3