dimethyl (1R,2S,3S)-3-[1-(4-ethanoylphenyl)ethenyl]-3-methyl-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S,3S)-3-[1-(4-ethanoylphenyl)ethenyl]-3-methyl-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S,3S)-3-[1-(4-acetylphenyl)vinyl]-3-methyl-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S,3S)-3-[1-(4-acetylphenyl)ethenyl]-3-methylcyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S,3S)-3-[1-(4-acetylphenyl)ethenyl]-3-methylcyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S,3S)-3-[1-(4-acetylphenyl)vinyl]-3-methyl-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=C)C2(C=CCC(C2C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=C)[C@]2(C=CC[C@H]([C@@H]2C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C21H24O5/c1-13(15-8-10-16(11-9-15)14(2)22)21(3)12-6-7-17(19(23)25-4)18(21)20(24)26-5/h6,8-12,17-18H,1,7H2,2-5H3/t17-,18-,21-/m1/s1