(4-bromophenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-bromophenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-bromophenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-bromophenyl) ester Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H18BrNO3/c1-12-4-3-5-17(13(12)2)21-11-14(10-18(21)22)19(23)24-16-8-6-15(20)7-9-16/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1