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

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-iodanyl-benzoic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-5-iodobenzoic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-5-iodobenzoic acid Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-5-iodo-benzoic acid Formula: C20H20ClIN2O4 MolecularWeight: 514.74127

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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)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClIN2O4/c21-15-3-1-14(2-4-15)12-23-7-9-24(10-8-23)19(25)13-28-18-6-5-16(22)11-17(18)20(26)27/h1-6,11H,7-10,12-13H2,(H,26,27)