5-bromanyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-bromo-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 5-bromo-2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid IUPAC Name: 5-bromo-2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoic acid Traditional Name: 5-bromo-2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzoic acid Formula: C20H20BrClN2O4 MolecularWeight: 467.7408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H20BrClN2O4/c21-15-3-6-18(17(11-15)20(26)27)28-13-19(25)24-9-7-23(8-10-24)12-14-1-4-16(22)5-2-14/h1-6,11H,7-10,12-13H2,(H,26,27)