3-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxidanylidene-cyclohexane-1-carbonitrile

Systemtic Name: 3-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxidanylidene-cyclohexane-1-carbonitrile Openeye Name: 3-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxo-cyclohexanecarbonitrile CAS Name: 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-oxo-1-cyclohexanecarbonitrile IUPAC Name: 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-oxocyclohexane-1-carbonitrile Traditional Name: 3-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-keto-cyclohexanecarbonitrile Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(CCC2=O)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(CCC2=O)C#N)OCC3CC3

InChI

InChI=1S/C18H21NO3/c1-21-17-7-5-14(9-18(17)22-11-12-2-3-12)15-8-13(10-19)4-6-16(15)20/h5,7,9,12-13,15H,2-4,6,8,11H2,1H3