1-iodanylprop-2-ynyl 3-oxidanyl-2-[(phenylmethyl)amino]propanoate

Systemtic Name: 1-iodanylprop-2-ynyl 3-oxidanyl-2-[(phenylmethyl)amino]propanoate Openeye Name: 1-iodoprop-2-ynyl 2-(benzylamino)-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-[(phenylmethyl)amino]propanoic acid 1-iodoprop-2-ynyl ester IUPAC Name: 1-iodoprop-2-ynyl 2-(benzylamino)-3-hydroxypropanoate Traditional Name: 2-(benzylamino)-3-hydroxy-propionic acid 1-iodoprop-2-ynyl ester Formula: C13H14INO3 MolecularWeight: 359.15963

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(OC(=O)C(CO)NCC1=CC=CC=C1)I

Isomeric SMILES

C#CC(OC(=O)C(CO)NCC1=CC=CC=C1)I

InChI

InChI=1S/C13H14INO3/c1-2-12(14)18-13(17)11(9-16)15-8-10-6-4-3-5-7-10/h1,3-7,11-12,15-16H,8-9H2