4-bromanyl-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid Openeye Name: 4-bromo-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-2-carboxylic acid CAS Name: 4-bromo-3-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-naphthalenecarboxylic acid IUPAC Name: 4-bromo-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-2-carboxylic acid Traditional Name: 4-bromo-3-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-2-naphthoic acid Formula: C24H22BrClN2O4 MolecularWeight: 517.79948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C4=CC=CC=C4C=C3C(=O)O)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C4=CC=CC=C4C=C3C(=O)O)Br

InChI

InChI=1S/C24H22BrClN2O4/c25-22-19-4-2-1-3-17(19)13-20(24(30)31)23(22)32-15-21(29)28-11-9-27(10-12-28)14-16-5-7-18(26)8-6-16/h1-8,13H,9-12,14-15H2,(H,30,31)