(2-bromanyl-4-cyano-6-ethoxy-phenyl) (3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) (3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) (3S)-1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-benzyl-5-keto-pyrrolidine-3-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O4/c1-2-27-18-9-15(11-23)8-17(22)20(18)28-21(26)16-10-19(25)24(13-16)12-14-6-4-3-5-7-14/h3-9,16H,2,10,12-13H2,1H3/t16-/m0/s1