2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxycarbonyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxycarbonyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxycarbonyl-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxycarbonyl-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxycarbonylpyrrol-1-yl]acetic acid Traditional Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-4-carbomethoxy-pyrrol-1-yl]acetic acid Formula: C16H11F6NO4 MolecularWeight: 395.253259

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O

Isomeric SMILES

COC(=O)C1=CN(C=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C16H11F6NO4/c1-27-14(26)12-6-23(7-13(24)25)5-11(12)8-2-9(15(17,18)19)4-10(3-8)16(20,21)22/h2-6H,7H2,1H3,(H,24,25)