(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H20ClNO5/c22-18-8-16-11-26-13-28-20(16)17(9-18)12-27-21(25)15-5-3-14(4-6-15)10-23-7-1-2-19(23)24/h3-6,8-9H,1-2,7,10-13H2