(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic 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 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H21ClN2O5/c23-17-12-15(13-19-22(17)29-11-10-28-19)14-30-21(27)7-6-20(26)25-9-8-18(24-25)16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2