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

Systemtic Name: ethyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(tert-butylamino)-2-oxo-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(tert-butylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]-5-(4-fluorophenyl)-2-methyl-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(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NC(C)(C)C)C

Isomeric SMILES

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

InChI

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