3-[4-(4-iodophenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-iodophenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-iodobenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-iodophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-iodobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-iodobenzoyl)piperazino]propionic acid Formula: C14H17IN2O3 MolecularWeight: 388.20085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H17IN2O3/c15-12-3-1-11(2-4-12)14(20)17-9-7-16(8-10-17)6-5-13(18)19/h1-4H,5-10H2,(H,18,19)