3-(4-iodanylphenoxy)-3-phenyl-propan-1-amine; prop-2-ynoate

Systemtic Name: 3-(4-iodanylphenoxy)-3-phenyl-propan-1-amine; prop-2-ynoate Openeye Name: 3-(4-iodophenoxy)-3-phenyl-propan-1-amine; prop-2-ynoate CAS Name: 3-(4-iodophenoxy)-3-phenyl-1-propanamine; 2-propynoate IUPAC Name: 3-(4-iodophenoxy)-3-phenylpropan-1-amine; prop-2-ynoate Traditional Name: [3-(4-iodophenoxy)-3-phenyl-propyl]amine; propiolate Formula: C18H17INO3- MolecularWeight: 422.23695

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)[O-].C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)I

Isomeric SMILES

C#CC(=O)[O-].C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)I

InChI

InChI=1S/C15H16INO.C3H2O2/c16-13-6-8-14(9-7-13)18-15(10-11-17)12-4-2-1-3-5-12;1-2-3(4)5/h1-9,15H,10-11,17H2;1H,(H,4,5)/p-1