(3S)-N-(4-bromanyl-3,5-dimethyl-phenyl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-3,5-dimethyl-phenyl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-3,5-dimethyl-phenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-3,5-dimethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-3,5-dimethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-3,5-dimethyl-phenyl)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)NC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)NC(=O)[C@H]2CC(=O)N(C2)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2/c1-13-9-18(10-14(2)20(13)22)23-21(26)17-11-19(25)24(12-17)15(3)16-7-5-4-6-8-16/h4-10,15,17H,11-12H2,1-3H3,(H,23,26)/t15-,17+/m1/s1