2-(3-bromanylphenoxy)ethyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: 2-(3-bromophenoxy)ethyl 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 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid 2-(3-bromophenoxy)ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c22-17-7-4-8-18(15-17)27-13-14-28-21(26)10-9-20(25)24-12-11-19(23-24)16-5-2-1-3-6-16/h1-8,15H,9-14H2