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

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]quinoline-4-carboxylic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]quinoline-4-carboxylic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]quinoline-4-carboxylic acid Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]cinchoninic acid Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C23H22ClN3O4/c24-17-7-5-16(6-8-17)14-26-9-11-27(12-10-26)22(28)15-31-21-13-19(23(29)30)18-3-1-2-4-20(18)25-21/h1-8,13H,9-12,14-15H2,(H,29,30)