1,2,2-tricyano-3-(4-methoxyphenyl)-5-oxidanylidene-4-propyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1,2,2-tricyano-3-(4-methoxyphenyl)-5-oxidanylidene-4-propyl-cyclohexane-1-carboxylic acid Openeye Name: 1,2,2-tricyano-3-(4-methoxyphenyl)-5-oxo-4-propyl-cyclohexanecarboxylic acid CAS Name: 1,2,2-tricyano-3-(4-methoxyphenyl)-5-oxo-4-propyl-1-cyclohexanecarboxylic acid IUPAC Name: 1,2,2-tricyano-3-(4-methoxyphenyl)-5-oxo-4-propylcyclohexane-1-carboxylic acid Traditional Name: 1,2,2-tricyano-5-keto-3-(4-methoxyphenyl)-4-propyl-cyclohexanecarboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C(CC1=O)(C#N)C(=O)O)(C#N)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1C(C(C(CC1=O)(C#N)C(=O)O)(C#N)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H19N3O4/c1-3-4-15-16(24)9-19(10-21,18(25)26)20(11-22,12-23)17(15)13-5-7-14(27-2)8-6-13/h5-8,15,17H,3-4,9H2,1-2H3,(H,25,26)