(3-fluoranyl-4-methoxy-phenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C17H20FNO4 MolecularWeight: 321.343403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H20FNO4/c1-9-15(11(3)20)10(2)19-16(9)17(21)23-8-12-5-6-14(22-4)13(18)7-12/h5-7,11,19-20H,8H2,1-4H3/t11-/m0/s1