[2-oxidanylidene-2-(phenethylamino)ethyl] 4-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-iodanylbenzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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