[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO5/c1-13-3-6-16(7-4-13)23-11-15(10-20(23)25)21(26)28-12-18(24)14-5-8-19(27-2)17(22)9-14/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1