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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C23H25BrN2O5/c1-3-10-30-19-7-5-18(6-8-19)26-13-16(12-22(26)28)23(29)31-14-21(27)25-20-9-4-17(24)11-15(20)2/h4-9,11,16H,3,10,12-14H2,1-2H3,(H,25,27)/t16-/m0/s1