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

Systemtic Name: ethyl 5-[(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(3-fluorophenyl)methyl-methylamino]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[(3-fluorophenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(3-fluorobenzyl)-methyl-amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25FN2O3 MolecularWeight: 360.422503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O3/c1-6-26-20(25)17-12(2)18(22-13(17)3)19(24)14(4)23(5)11-15-8-7-9-16(21)10-15/h7-10,14,22H,6,11H2,1-5H3/t14-/m0/s1