(2S)-2-(4-bromanylphenoxy)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]propionamide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)OC2=CC=C(C=C2)Br)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)Br)N3CCCC3=O

InChI

InChI=1S/C20H21BrN2O3/c1-13-12-16(7-10-18(13)23-11-3-4-19(23)24)22-20(25)14(2)26-17-8-5-15(21)6-9-17/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,25)/t14-/m0/s1