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

Systemtic Name: methyl 3-[[5-iodanyl-2-(naphthalen-2-ylmethylamino)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[5-iodo-2-(2-naphthalenylmethylamino)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[5-iodo-2-(naphthalen-2-ylmethylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[5-iodo-2-(2-naphthylmethylamino)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H25IN2O3 MolecularWeight: 564.41417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)I)NCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)I)NCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H25IN2O3/c1-34-27(32)17-26(21-8-3-2-4-9-21)31-28(33)24-16-23(29)13-14-25(24)30-18-19-11-12-20-7-5-6-10-22(20)15-19/h2-16,26,30H,17-18H2,1H3,(H,31,33)