2-[2-[4-(4-iodophenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2-[4-(4-iodophenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2-[4-(4-iodobenzoyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2-[4-[(4-iodophenyl)-oxomethyl]-1-piperazinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2-[4-(4-iodobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[2-[4-(4-iodobenzoyl)piperazino]phenoxy]-2-methyl-propionic acid Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H23IN2O4/c1-21(2,20(26)27)28-18-6-4-3-5-17(18)23-11-13-24(14-12-23)19(25)15-7-9-16(22)10-8-15/h3-10H,11-14H2,1-2H3,(H,26,27)