ethyl 2-[[4-[[3-azanyl-5-[[4-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]phenyl]carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[4-[[3-azanyl-5-[[4-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]phenyl]carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: ethyl 2-[4-[[3-amino-5-[[4-[bis(2-ethoxy-2-oxo-ethyl)amino]phenyl]carbamoyl]-2,4,6-triiodo-benzoyl]amino]-N-(2-ethoxy-2-oxo-ethyl)anilino]acetate CAS Name: 2-[4-[[[3-amino-5-[[4-[bis(2-ethoxy-2-oxoethyl)amino]anilino]-oxomethyl]-2,4,6-triiodophenyl]-oxomethyl]amino]-N-(2-ethoxy-2-oxoethyl)anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-amino-5-[[4-[bis(2-ethoxy-2-oxoethyl)amino]phenyl]carbamoyl]-2,4,6-triiodobenzoyl]amino]-N-(2-ethoxy-2-oxoethyl)anilino]acetate Traditional Name: 2-[4-[[3-amino-5-[[4-[bis(2-ethoxy-2-keto-ethyl)amino]phenyl]carbamoyl]-2,4,6-triiodo-benzoyl]amino]-N-(2-ethoxy-2-keto-ethyl)anilino]acetic acid ethyl ester Formula: C36H40I3N5O10 MolecularWeight: 1083.44371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)NC3=CC=C(C=C3)N(CC(=O)OCC)CC(=O)OCC)I

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)NC3=CC=C(C=C3)N(CC(=O)OCC)CC(=O)OCC)I

InChI

InChI=1S/C36H40I3N5O10/c1-5-51-25(45)17-43(18-26(46)52-6-2)23-13-9-21(10-14-23)41-35(49)29-31(37)30(33(39)34(40)32(29)38)36(50)42-22-11-15-24(16-12-22)44(19-27(47)53-7-3)20-28(48)54-8-4/h9-16H,5-8,17-20,40H2,1-4H3,(H,41,49)(H,42,50)