ethyl 3-[(3-azanyl-5-iodanyl-2-propan-2-yl-phenyl)carbonylamino]butanoate

Systemtic Name: ethyl 3-[(3-azanyl-5-iodanyl-2-propan-2-yl-phenyl)carbonylamino]butanoate Openeye Name: ethyl 3-[(3-amino-5-iodo-2-isopropyl-benzoyl)amino]butanoate CAS Name: 3-[[(3-amino-5-iodo-2-propan-2-ylphenyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-amino-5-iodo-2-propan-2-ylbenzoyl)amino]butanoate Traditional Name: 3-[(3-amino-5-iodo-2-isopropyl-benzoyl)amino]butyric acid ethyl ester Formula: C16H23IN2O3 MolecularWeight: 418.26989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CC(=CC(=C1C(C)C)N)I

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=CC(=CC(=C1C(C)C)N)I

InChI

InChI=1S/C16H23IN2O3/c1-5-22-14(20)6-10(4)19-16(21)12-7-11(17)8-13(18)15(12)9(2)3/h7-10H,5-6,18H2,1-4H3,(H,19,21)