(5-ethanoyl-2-methoxy-phenyl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H20ClNO5/c1-13(24)14-6-8-19(27-2)16(10-14)12-28-21(26)15-5-7-17(22)18(11-15)23-9-3-4-20(23)25/h5-8,10-11H,3-4,9,12H2,1-2H3