(2S)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-2-phenyl-propionate Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-])Cl)OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])Cl)OCC[NH+](C)C

InChI

InChI=1S/C21H26ClNO4/c1-4-26-19-14-15(13-18(22)20(19)27-11-10-23(2)3)12-17(21(24)25)16-8-6-5-7-9-16/h5-9,13-14,17H,4,10-12H2,1-3H3,(H,24,25)/t17-/m0/s1