ethyl 1-ethyl-4-[2-[(4-fluorophenyl)methylamino]propanoyl]-3,5-dimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[2-[(4-fluorophenyl)methylamino]propanoyl]-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-ethyl-4-[2-[(4-fluorophenyl)methylamino]propanoyl]-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 1-ethyl-4-[2-[(4-fluorophenyl)methylamino]-1-oxopropyl]-3,5-dimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[2-[(4-fluorophenyl)methylamino]propanoyl]-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 1-ethyl-4-[2-[(4-fluorobenzyl)amino]propanoyl]-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H27FN2O3 MolecularWeight: 374.449083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)C(C)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)C(C)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C21H27FN2O3/c1-6-24-15(5)18(13(3)19(24)21(26)27-7-2)20(25)14(4)23-12-16-8-10-17(22)11-9-16/h8-11,14,23H,6-7,12H2,1-5H3