methyl 2-cyano-3-(4,4-dimethyl-2-methylidene-6-oxidanylidene-cyclohexylidene)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-cyano-3-(4,4-dimethyl-2-methylidene-6-oxidanylidene-cyclohexylidene)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-cyano-3-(4,4-dimethyl-2-methylene-6-oxo-cyclohexylidene)-3-(4-hydroxyphenyl)propanoate CAS Name: 2-cyano-3-(4,4-dimethyl-2-methylene-6-oxocyclohexylidene)-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(4,4-dimethyl-2-methylidene-6-oxocyclohexylidene)-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-cyano-3-(4-hydroxyphenyl)-3-(2-keto-4,4-dimethyl-6-methylene-cyclohexylidene)propionic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C)C(=C(C2=CC=C(C=C2)O)C(C#N)C(=O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC(=C)C(=C(C2=CC=C(C=C2)O)C(C#N)C(=O)OC)C(=O)C1)C

InChI

InChI=1S/C20H21NO4/c1-12-9-20(2,3)10-16(23)17(12)18(15(11-21)19(24)25-4)13-5-7-14(22)8-6-13/h5-8,15,22H,1,9-10H2,2-4H3