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

Systemtic Name: ethyl 3-[[3-azanyl-5-iodanyl-2-(phenylmethyl)phenyl]carbonylamino]butanoate Openeye Name: ethyl 3-[(3-amino-2-benzyl-5-iodo-benzoyl)amino]butanoate CAS Name: 3-[[[3-amino-5-iodo-2-(phenylmethyl)phenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-amino-2-benzyl-5-iodobenzoyl)amino]butanoate Traditional Name: 3-[(3-amino-2-benzyl-5-iodo-benzoyl)amino]butyric acid ethyl ester Formula: C20H23IN2O3 MolecularWeight: 466.31269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CC(=CC(=C1CC2=CC=CC=C2)N)I

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=CC(=CC(=C1CC2=CC=CC=C2)N)I

InChI

InChI=1S/C20H23IN2O3/c1-3-26-19(24)9-13(2)23-20(25)17-11-15(21)12-18(22)16(17)10-14-7-5-4-6-8-14/h4-8,11-13H,3,9-10,22H2,1-2H3,(H,23,25)