ethyl 3-[[5-iodanyl-2-[(3-phenoxyphenyl)methylamino]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[5-iodanyl-2-[(3-phenoxyphenyl)methylamino]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[5-iodo-2-[(3-phenoxyphenyl)methylamino]benzoyl]amino]propanoate CAS Name: 3-[[[5-iodo-2-[(3-phenoxyphenyl)methylamino]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-iodo-2-[(3-phenoxyphenyl)methylamino]benzoyl]amino]propanoate Traditional Name: 3-[[5-iodo-2-[(3-phenoxybenzyl)amino]benzoyl]amino]propionic acid ethyl ester Formula: C25H25IN2O4 MolecularWeight: 544.38147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(C=CC(=C1)I)NCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(C=CC(=C1)I)NCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H25IN2O4/c1-2-31-24(29)13-14-27-25(30)22-16-19(26)11-12-23(22)28-17-18-7-6-10-21(15-18)32-20-8-4-3-5-9-20/h3-12,15-16,28H,2,13-14,17H2,1H3,(H,27,30)