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

Systemtic Name: ethyl 1-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-(sec-butylamino)propyl]pyrrole-3-carboxylate CAS Name: 1-[3-(butan-2-ylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(butan-2-ylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[3-keto-3-(sec-butylamino)propyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27FN2O3 MolecularWeight: 374.449083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

InChI

InChI=1S/C21H27FN2O3/c1-5-14(3)23-20(25)11-12-24-15(4)18(21(26)27-6-2)13-19(24)16-7-9-17(22)10-8-16/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,25)