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

Systemtic Name: ethyl 5-[(2S)-2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27FN2O4 MolecularWeight: 390.448483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N(C)CC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)N(C)CC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C21H27FN2O4/c1-7-28-21(26)18-12(2)19(23-13(18)3)20(25)14(4)24(5)11-15-8-9-17(27-6)16(22)10-15/h8-10,14,23H,7,11H2,1-6H3/t14-/m0/s1