(2S)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (2S)-2-(homoveratryliminomethyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C=NCCC1=CC(=C(C=C1)OC)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)[C@@H](C=NCCC1=CC(=C(C=C1)OC)OC)C#N

InChI

InChI=1S/C18H24N2O3/c1-18(2,3)17(21)14(11-19)12-20-9-8-13-6-7-15(22-4)16(10-13)23-5/h6-7,10,12,14H,8-9H2,1-5H3/t14-/m1/s1