[2-[(2R)-2-acetyloxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxy-phenyl] ethanoate

Systemtic Name: [2-[(2R)-2-acetyloxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxy-phenyl] ethanoate Openeye Name: [2-[(2R)-2-acetoxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxy-phenyl] acetate CAS Name: acetic acid [2-[(2R)-2-acetyloxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxyphenyl] ester IUPAC Name: [2-[(2R)-2-acetyloxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxyphenyl] acetate Traditional Name: acetic acid [2-[(2R)-2-acetoxy-1,3-dideuterio-3-(3,4-dimethoxyphenyl)propyl]-5-methoxy-phenyl] ester Formula: C22H26O7 MolecularWeight: 404.449964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)OC)CC(CC2=CC(=C(C=C2)OC)OC)OC(=O)C

Isomeric SMILES

[2H]C(C1=CC(=C(C=C1)OC)OC)[C@H](C([2H])C2=C(C=C(C=C2)OC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H26O7/c1-14(23)28-19(10-16-6-9-20(26-4)22(11-16)27-5)12-17-7-8-18(25-3)13-21(17)29-15(2)24/h6-9,11,13,19H,10,12H2,1-5H3/t19-/m1/s1/i10D,12D/t10?,12?,19-