3-(aminomethyl)-2-butoxycarbonyl-6-iodanyl-benzoic acid

Systemtic Name: 3-(aminomethyl)-2-butoxycarbonyl-6-iodanyl-benzoic acid Openeye Name: 3-(aminomethyl)-2-butoxycarbonyl-6-iodo-benzoic acid CAS Name: 3-(aminomethyl)-2-[butoxy(oxo)methyl]-6-iodobenzoic acid IUPAC Name: 3-(aminomethyl)-2-butoxycarbonyl-6-iodobenzoic acid Traditional Name: 3-(aminomethyl)-2-butoxycarbonyl-6-iodo-benzoic acid Formula: C13H16INO4 MolecularWeight: 377.17491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1C(=O)O)I)CN

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1C(=O)O)I)CN

InChI

InChI=1S/C13H16INO4/c1-2-3-6-19-13(18)10-8(7-15)4-5-9(14)11(10)12(16)17/h4-5H,2-3,6-7,15H2,1H3,(H,16,17)