(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H22ClNO5/c1-14-2-4-15(5-3-14)11-24-12-17(10-20(24)25)22(26)29-13-16-8-18(23)21-19(9-16)27-6-7-28-21/h2-5,8-9,17H,6-7,10-13H2,1H3