4-[(4-ethylpiperazin-1-yl)methyl]-3-iodanyl-benzoic acid

Systemtic Name: 4-[(4-ethylpiperazin-1-yl)methyl]-3-iodanyl-benzoic acid Openeye Name: 4-[(4-ethylpiperazin-1-yl)methyl]-3-iodo-benzoic acid CAS Name: 4-[(4-ethyl-1-piperazinyl)methyl]-3-iodobenzoic acid IUPAC Name: 4-[(4-ethylpiperazin-1-yl)methyl]-3-iodobenzoic acid Traditional Name: 4-[(4-ethylpiperazino)methyl]-3-iodo-benzoic acid Formula: C14H19IN2O2 MolecularWeight: 374.21733

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C14H19IN2O2/c1-2-16-5-7-17(8-6-16)10-12-4-3-11(14(18)19)9-13(12)15/h3-4,9H,2,5-8,10H2,1H3,(H,18,19)