[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C25H29BrN2O4 MolecularWeight: 501.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)Br)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)Br)C

InChI

InChI=1S/C25H29BrN2O4/c1-5-17-8-7-9-18(6-2)24(17)28-13-19(12-23(28)30)25(31)32-14-22(29)27-21-11-15(3)20(26)10-16(21)4/h7-11,19H,5-6,12-14H2,1-4H3,(H,27,29)