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

Systemtic Name: N-(4-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(4-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(4-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(4-bromophenyl)-1-homoveratryl-5-keto-pyrrolidine-3-carboxamide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O4/c1-27-18-8-3-14(11-19(18)28-2)9-10-24-13-15(12-20(24)25)21(26)23-17-6-4-16(22)5-7-17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,23,26)