(2S)-2-[4-chloranyl-2-(2-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]propanoic acid

Systemtic Name: (2S)-2-[4-chloranyl-2-(2-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]propanoic acid Openeye Name: (2S)-2-[4-chloro-2-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propanoic acid CAS Name: (2S)-2-[4-chloro-2-[2-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]phenoxy]propanoic acid IUPAC Name: (2S)-2-[4-chloro-2-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propanoic acid Traditional Name: (2S)-2-[4-chloro-2-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propionic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2)C3=C(C=CC(=C3)Cl)OC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC2)C3=C(C=CC(=C3)Cl)O[C@@H](C)C(=O)O

InChI

InChI=1S/C21H22ClNO4/c1-13-11-15(20(24)23-9-3-4-10-23)5-7-17(13)18-12-16(22)6-8-19(18)27-14(2)21(25)26/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,25,26)/t14-/m0/s1