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

Systemtic Name: (2S)-3-[4-[2-(diethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[4-[2-(diethylammonio)ethoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[4-[2-(diethylammonio)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[4-[2-(diethylazaniumyl)ethoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[4-[2-(diethylammonio)ethoxy]phenyl]-2-phenyl-propionate Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-3-22(4-2)14-15-25-19-12-10-17(11-13-19)16-20(21(23)24)18-8-6-5-7-9-18/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,24)/t20-/m0/s1