(2S)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide

Systemtic Name: (2S)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide Openeye Name: (2S)-2-(4-bromo-2,6-dimethyl-phenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide CAS Name: (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]propanamide IUPAC Name: (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-(4-bromo-2,6-dimethyl-phenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propionamide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)C)Br

InChI

InChI=1S/C22H25BrN2O3/c1-14-12-17(23)13-15(2)20(14)28-16(3)21(26)24-19-9-5-4-8-18(19)22(27)25-10-6-7-11-25/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,24,26)/t16-/m0/s1