(2S)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[4-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[4-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(=C(C=C1)CC(C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C22H27NO4/c1-26-19-10-9-18(15-20(22(24)25)17-7-3-2-4-8-17)21(16-19)27-14-13-23-11-5-6-12-23/h2-4,7-10,16,20H,5-6,11-15H2,1H3,(H,24,25)/t20-/m0/s1