(3S)-N-(4-bromanyl-3-methoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-3-methoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-3-methoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-3-methoxyphenyl)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-3-methoxyphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-3-methoxy-phenyl)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)Br)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC(=C(C=C3)Br)OC

InChI

InChI=1S/C20H21BrN2O4/c1-3-27-16-7-5-15(6-8-16)23-12-13(10-19(23)24)20(25)22-14-4-9-17(21)18(11-14)26-2/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,25)/t13-/m0/s1