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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-butoxycarbonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 1-(4-butoxycarbonylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[4-[butoxy(oxo)methyl]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 1-(4-butoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-butoxycarbonylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O6/c1-3-4-11-33-24(31)17-5-8-20(9-6-17)28-14-18(13-23(28)30)25(32)34-15-22(29)27-21-10-7-19(26)12-16(21)2/h5-10,12,18H,3-4,11,13-15H2,1-2H3,(H,27,29)