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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC=C1OC)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC=C1OC)C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C22H29NO4/c1-4-23(5-2)14-15-27-21-18(12-9-13-20(21)26-3)16-19(22(24)25)17-10-7-6-8-11-17/h6-13,19H,4-5,14-16H2,1-3H3,(H,24,25)/t19-/m0/s1