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

Systemtic Name: 2-[2-methoxy-4-[(E)-[(3S)-2-oxidanylidene-3-phenyl-cyclohexylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-[(3S)-2-oxo-3-phenyl-cyclohexylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-[(3S)-2-oxo-3-phenylcyclohexylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-[(3S)-2-oxo-3-phenylcyclohexylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-[(3S)-2-keto-3-phenyl-cyclohexylidene]methyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2CCCC(C2=O)C3=CC=CC=C3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\CCC[C@H](C2=O)C3=CC=CC=C3)OCC#N

InChI

InChI=1S/C22H21NO3/c1-25-21-15-16(10-11-20(21)26-13-12-23)14-18-8-5-9-19(22(18)24)17-6-3-2-4-7-17/h2-4,6-7,10-11,14-15,19H,5,8-9,13H2,1H3/b18-14+/t19-/m0/s1