3-[3-(2,2-dimethylpropoxy)-4-methoxy-phenyl]-4,4-diethoxy-2-ethoxycarbonyl-butanoic acid

Systemtic Name: 3-[3-(2,2-dimethylpropoxy)-4-methoxy-phenyl]-4,4-diethoxy-2-ethoxycarbonyl-butanoic acid Openeye Name: 3-[3-(2,2-dimethylpropoxy)-4-methoxy-phenyl]-4,4-diethoxy-2-ethoxycarbonyl-butanoic acid CAS Name: 3-[3-(2,2-dimethylpropoxy)-4-methoxyphenyl]-4,4-diethoxy-2-ethoxycarbonylbutanoic acid IUPAC Name: 3-[3-(2,2-dimethylpropoxy)-4-methoxyphenyl]-4,4-diethoxy-2-ethoxycarbonylbutanoic acid Traditional Name: 2-carbethoxy-4,4-diethoxy-3-(4-methoxy-3-neopentyloxy-phenyl)butyric acid Formula: C23H36O8 MolecularWeight: 440.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC(=C(C=C1)OC)OCC(C)(C)C)C(C(=O)O)C(=O)OCC)OCC

Isomeric SMILES

CCOC(C(C1=CC(=C(C=C1)OC)OCC(C)(C)C)C(C(=O)O)C(=O)OCC)OCC

InChI

InChI=1S/C23H36O8/c1-8-28-21(26)19(20(24)25)18(22(29-9-2)30-10-3)15-11-12-16(27-7)17(13-15)31-14-23(4,5)6/h11-13,18-19,22H,8-10,14H2,1-7H3,(H,24,25)