2-[2-methoxy-4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[[(3S,6S)-3-isopropyl-6-methyl-2-oxo-cyclohexylidene]methyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[[(3S,6S)-3-isopropyl-2-keto-6-methyl-cyclohexylidene]methyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC(=C(C=C2)OCC#N)OC)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=O)C1=CC2=CC(=C(C=C2)OCC#N)OC)C(C)C

InChI

InChI=1S/C20H25NO3/c1-13(2)16-7-5-14(3)17(20(16)22)11-15-6-8-18(24-10-9-21)19(12-15)23-4/h6,8,11-14,16H,5,7,10H2,1-4H3/t14-,16-/m0/s1