[2-oxidanylidene-2-(phenethylamino)ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H16INO3/c18-15-8-4-7-14(11-15)17(21)22-12-16(20)19-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)