methyl 2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C16H16F3NO3/c1-10-9-13(15(22,14(21)23-3)16(17,18)19)11(2)20(10)12-7-5-4-6-8-12/h4-9,22H,1-3H3