N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21BrN2O4/c22-16-11-18-19(28-9-8-27-18)12-17(16)23-21(26)15-10-20(25)24(13-15)7-6-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2,(H,23,26)