2-[4-chloranyl-2-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]acetic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C20H20ClNO4/c1-13-10-14(4-6-16(13)20(25)22-8-2-3-9-22)17-11-15(21)5-7-18(17)26-12-19(23)24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,24)