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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H22ClNO6/c1-2-27-17-5-3-16(4-6-17)24-12-15(11-20(24)25)22(26)30-13-14-9-18(23)21-19(10-14)28-7-8-29-21/h3-6,9-10,15H,2,7-8,11-13H2,1H3