ethyl 6-[2-[[4-[(2-iodanylphenyl)carbonylamino]phenyl]carbonyl-methyl-amino]phenoxy]hexanoate

Systemtic Name: ethyl 6-[2-[[4-[(2-iodanylphenyl)carbonylamino]phenyl]carbonyl-methyl-amino]phenoxy]hexanoate Openeye Name: ethyl 6-[2-[[4-[(2-iodobenzoyl)amino]benzoyl]-methyl-amino]phenoxy]hexanoate CAS Name: 6-[2-[[[4-[[(2-iodophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-methylamino]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[[4-[(2-iodobenzoyl)amino]benzoyl]-methylamino]phenoxy]hexanoate Traditional Name: 6-[2-[[4-[(2-iodobenzoyl)amino]benzoyl]-methyl-amino]phenoxy]hexanoic acid ethyl ester Formula: C29H31IN2O5 MolecularWeight: 614.47131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C29H31IN2O5/c1-3-36-27(33)15-5-4-10-20-37-26-14-9-8-13-25(26)32(2)29(35)21-16-18-22(19-17-21)31-28(34)23-11-6-7-12-24(23)30/h6-9,11-14,16-19H,3-5,10,15,20H2,1-2H3,(H,31,34)