3-[[5-iodanyl-2-(naphthalen-2-ylmethylamino)phenyl]carbonylamino]butanoate

Systemtic Name: 3-[[5-iodanyl-2-(naphthalen-2-ylmethylamino)phenyl]carbonylamino]butanoate Openeye Name: 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]butanoate CAS Name: 3-[[[5-iodo-2-(2-naphthalenylmethylamino)phenyl]-oxomethyl]amino]butanoate IUPAC Name: 3-[[5-iodo-2-(naphthalen-2-ylmethylamino)benzoyl]amino]butanoate Traditional Name: 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]butyrate Formula: C22H20IN2O3- MolecularWeight: 487.31027

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])NC(=O)C1=C(C=CC(=C1)I)NCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(CC(=O)[O-])NC(=O)C1=C(C=CC(=C1)I)NCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21IN2O3/c1-14(10-21(26)27)25-22(28)19-12-18(23)8-9-20(19)24-13-15-6-7-16-4-2-3-5-17(16)11-15/h2-9,11-12,14,24H,10,13H2,1H3,(H,25,28)(H,26,27)/p-1