[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H20BrFN2O4 MolecularWeight: 463.296903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H20BrFN2O4/c1-13-2-4-14(5-3-13)10-25-11-15(8-20(25)27)21(28)29-12-19(26)24-18-7-6-16(22)9-17(18)23/h2-7,9,15H,8,10-12H2,1H3,(H,24,26)