ethyl 3-[[5-iodanyl-2-[(4-phenoxyphenyl)methylamino]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[5-iodanyl-2-[(4-phenoxyphenyl)methylamino]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[5-iodo-2-[(4-phenoxyphenyl)methylamino]benzoyl]amino]propanoate CAS Name: 3-[[[5-iodo-2-[(4-phenoxyphenyl)methylamino]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-iodo-2-[(4-phenoxyphenyl)methylamino]benzoyl]amino]propanoate Traditional Name: 3-[[5-iodo-2-[(4-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=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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