(2-chloranyl-5-methyl-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18ClNO5/c1-12-2-4-15(21)17(8-12)27-20(24)13-9-19(23)22(11-13)14-3-5-16-18(10-14)26-7-6-25-16/h2-5,8,10,13H,6-7,9,11H2,1H3/t13-/m0/s1