(2S)-2-(3,4-dimethoxyphenyl)-3-(4-pentoxyphenyl)propanoate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pentoxyphenyl)propanoate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pentoxyphenyl)propanoate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pentoxyphenyl)propanoate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pentoxyphenyl)propanoate Traditional Name: (2S)-3-(4-amoxyphenyl)-2-(3,4-dimethoxyphenyl)propionate Formula: C22H27O5- MolecularWeight: 371.44678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C(=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[C@@H](C2=CC(=C(C=C2)OC)OC)C(=O)[O-]

InChI

InChI=1S/C22H28O5/c1-4-5-6-13-27-18-10-7-16(8-11-18)14-19(22(23)24)17-9-12-20(25-2)21(15-17)26-3/h7-12,15,19H,4-6,13-14H2,1-3H3,(H,23,24)/p-1/t19-/m0/s1