dimethyl 2-[(1S,4R)-4-acetyloxycyclohex-2-en-1-yl]-2-[(4-methoxyphenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(1S,4R)-4-acetyloxycyclohex-2-en-1-yl]-2-[(4-methoxyphenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(1S,4R)-4-acetoxycyclohex-2-en-1-yl]-2-[(4-methoxyphenyl)methyl]propanedioate CAS Name: 2-[(1S,4R)-4-acetyloxy-1-cyclohex-2-enyl]-2-[(4-methoxyphenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S,4R)-4-acetyloxycyclohex-2-en-1-yl]-2-[(4-methoxyphenyl)methyl]propanedioate Traditional Name: 2-[(1S,4R)-4-acetoxycyclohex-2-en-1-yl]-2-p-anisyl-malonic acid dimethyl ester Formula: C21H26O7 MolecularWeight: 390.42694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C=C1)C(CC2=CC=C(C=C2)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@H](C=C1)C(CC2=CC=C(C=C2)OC)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H26O7/c1-14(22)28-18-11-7-16(8-12-18)21(19(23)26-3,20(24)27-4)13-15-5-9-17(25-2)10-6-15/h5-7,9-11,16,18H,8,12-13H2,1-4H3/t16-,18+/m1/s1