2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]-2-methoxy-phenoxy]acetonitrile Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C=C2)OCC#N)OC)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C=C2)OCC#N)OC)/C1=O

InChI

InChI=1S/C17H19NO3/c1-12-4-3-5-14(17(12)19)10-13-6-7-15(21-9-8-18)16(11-13)20-2/h6-7,10-12H,3-5,9H2,1-2H3/b14-10+/t12-/m0/s1