2-[4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(3-iodoanilino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(3-iodoanilino)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(3-iodoanilino)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(3-iodoanilino)-2-keto-ethyl]piperazino]acetic acid Formula: C14H18IN3O3 MolecularWeight: 403.21549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)I)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)I)CC(=O)O

InChI

InChI=1S/C14H18IN3O3/c15-11-2-1-3-12(8-11)16-13(19)9-17-4-6-18(7-5-17)10-14(20)21/h1-3,8H,4-7,9-10H2,(H,16,19)(H,20,21)