(2S)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propionate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-26-20-11-7-10-18(21(20)27-15-14-23-12-5-6-13-23)16-19(22(24)25)17-8-3-2-4-9-17/h2-4,7-11,19H,5-6,12-16H2,1H3,(H,24,25)/t19-/m0/s1