ethyl 1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(sec-butylamino)ethyl]pyrrole-3-carboxylate CAS Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[2-keto-2-(sec-butylamino)ethyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25FN2O3 MolecularWeight: 360.422503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

InChI

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