(2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propanoic acid Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propanoic acid CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propanoic acid IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propanoic acid Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-hexoxyphenyl)propionic acid Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[C@@H](C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C23H30O5/c1-4-5-6-7-14-28-19-11-8-17(9-12-19)15-20(23(24)25)18-10-13-21(26-2)22(16-18)27-3/h8-13,16,20H,4-7,14-15H2,1-3H3,(H,24,25)/t20-/m0/s1