(5-methyl-2-propan-2-yl-phenyl) (3S)-1-[2,5-bis(chloranyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (3S)-1-[2,5-bis(chloranyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,5-dichlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dichlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)[C@H]2CC(=O)N(C2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO3/c1-12(2)16-6-4-13(3)8-19(16)27-21(26)14-9-20(25)24(11-14)18-10-15(22)5-7-17(18)23/h4-8,10,12,14H,9,11H2,1-3H3/t14-/m0/s1