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

Systemtic Name: (2S)-3-[5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-2-phenyl-propionate Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3/c1-3-23(4-2)12-13-26-20-11-10-18(22)14-17(20)15-19(21(24)25)16-8-6-5-7-9-16/h5-11,14,19H,3-4,12-13,15H2,1-2H3,(H,24,25)/t19-/m0/s1