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

Systemtic Name: (2S)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-phenyl-propionate Formula: C20H24ClNO4 MolecularWeight: 377.86186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C20H24ClNO4/c1-22(2)9-10-26-19-17(21)12-14(13-18(19)25-3)11-16(20(23)24)15-7-5-4-6-8-15/h4-8,12-13,16H,9-11H2,1-3H3,(H,23,24)/t16-/m0/s1