(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H20ClNO6/c1-26-18-5-3-2-4-17(18)23-9-13(8-19(23)24)21(25)28-11-15-7-16(22)6-14-10-27-12-29-20(14)15/h2-7,13H,8-12H2,1H3/t13-/m0/s1