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

Systemtic Name: (2S)-3-[2-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[2-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-2-phenyl-propionate Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-4-23(5-2)13-14-27-21-16-19(26-3)12-11-18(21)15-20(22(24)25)17-9-7-6-8-10-17/h6-12,16,20H,4-5,13-15H2,1-3H3,(H,24,25)/t20-/m0/s1