(2S,4R)-2-(3,4-dimethoxyphenyl)-4-methanoyl-7-oxidanylidene-2-propan-2-yl-heptanenitrile

Systemtic Name: (2S,4R)-2-(3,4-dimethoxyphenyl)-4-methanoyl-7-oxidanylidene-2-propan-2-yl-heptanenitrile Openeye Name: (2S,4R)-2-(3,4-dimethoxyphenyl)-4-formyl-2-isopropyl-7-oxo-heptanenitrile CAS Name: (2S,4R)-2-(3,4-dimethoxyphenyl)-4-formyl-7-oxo-2-propan-2-ylheptanenitrile IUPAC Name: (2S,4R)-2-(3,4-dimethoxyphenyl)-4-formyl-7-oxo-2-propan-2-ylheptanenitrile Traditional Name: (2S,4R)-2-(3,4-dimethoxyphenyl)-4-formyl-2-isopropyl-7-keto-enanthonitrile Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4/c1-14(2)19(13-20,11-15(12-22)6-5-9-21)16-7-8-17(23-3)18(10-16)24-4/h7-10,12,14-15H,5-6,11H2,1-4H3/t15-,19+/m1/s1