1-(2-bromophenyl)-5-oxidanylidene-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-bromophenyl)-5-oxidanylidene-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide CAS Name: 1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2-bromophenyl)-5-keto-N-(2,4,5-trimethoxybenzyl)pyrrolidine-3-carboxamide Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br)OC)OC

InChI

InChI=1S/C21H23BrN2O5/c1-27-17-10-19(29-3)18(28-2)8-13(17)11-23-21(26)14-9-20(25)24(12-14)16-7-5-4-6-15(16)22/h4-8,10,14H,9,11-12H2,1-3H3,(H,23,26)