(2S)-2-(4-methoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(4-methoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid CAS Name: (2S)-2-(4-methoxyphenyl)-3-[2-[2-(1-pyrrolidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(4-methoxyphenyl)-3-[2-(2-pyrrolidinoethoxy)phenyl]propionic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2OCCN3CCCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=CC=CC=C2OCCN3CCCC3)C(=O)O

InChI

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