(2S)-3-(3-hexoxyphenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-hexoxyphenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-hexoxyphenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-hexoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-hexoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(3-hexoxyphenyl)-2-phenyl-propionate Formula: C21H25O3- MolecularWeight: 325.4214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-2-3-4-8-14-24-19-13-9-10-17(15-19)16-20(21(22)23)18-11-6-5-7-12-18/h5-7,9-13,15,20H,2-4,8,14,16H2,1H3,(H,22,23)/p-1/t20-/m0/s1