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

Systemtic Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexanecarbonitrile CAS Name: 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxy-1-cyclohexanecarbonitrile IUPAC Name: 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxycyclohexane-1-carbonitrile Traditional Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexanecarbonitrile Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#N)OCC3CC3

InChI

InChI=1S/C18H23NO3/c1-21-16-5-4-14(10-17(16)22-11-13-2-3-13)18(12-19)8-6-15(20)7-9-18/h4-5,10,13,15,20H,2-3,6-9,11H2,1H3