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

Systemtic Name: (2S)-3-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[4-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-2-phenyl-propionate Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-21(2)11-12-25-18-10-9-15(14-19(18)24-3)13-17(20(22)23)16-7-5-4-6-8-16/h4-10,14,17H,11-13H2,1-3H3,(H,22,23)/t17-/m0/s1