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

Systemtic Name: ethyl 3-[[3-azanyl-5-iodanyl-2-(phenylmethyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[(3-amino-2-benzyl-5-iodo-benzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[3-amino-5-iodo-2-(phenylmethyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-amino-2-benzyl-5-iodobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(3-amino-2-benzyl-5-iodo-benzoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C25H25IN2O3 MolecularWeight: 528.38207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2CC3=CC=CC=C3)N)I

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2CC3=CC=CC=C3)N)I

InChI

InChI=1S/C25H25IN2O3/c1-2-31-24(29)16-23(18-11-7-4-8-12-18)28-25(30)21-14-19(26)15-22(27)20(21)13-17-9-5-3-6-10-17/h3-12,14-15,23H,2,13,16,27H2,1H3,(H,28,30)