[(E,1S)-7-[(2-aminophenyl)amino]-1-(5-iodanyl-2-oxidanyl-phenyl)-7-oxidanylidene-hept-5-enyl] N-phenylcarbamate

Systemtic Name: [(E,1S)-7-[(2-aminophenyl)amino]-1-(5-iodanyl-2-oxidanyl-phenyl)-7-oxidanylidene-hept-5-enyl] N-phenylcarbamate Openeye Name: [(E,1S)-7-(2-aminoanilino)-1-(2-hydroxy-5-iodo-phenyl)-7-oxo-hept-5-enyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(E,1S)-7-(2-aminoanilino)-1-(2-hydroxy-5-iodophenyl)-7-oxohept-5-enyl] ester IUPAC Name: [(E,1S)-7-(2-aminoanilino)-1-(2-hydroxy-5-iodophenyl)-7-oxohept-5-enyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(E,1S)-7-(2-aminoanilino)-1-(2-hydroxy-5-iodo-phenyl)-7-keto-hept-5-enyl] ester Formula: C26H26IN3O4 MolecularWeight: 571.40681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OC(CCCC=CC(=O)NC2=CC=CC=C2N)C3=C(C=CC(=C3)I)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)O[C@@H](CCC/C=C/C(=O)NC2=CC=CC=C2N)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C26H26IN3O4/c27-18-15-16-23(31)20(17-18)24(34-26(33)29-19-9-3-1-4-10-19)13-5-2-6-14-25(32)30-22-12-8-7-11-21(22)28/h1,3-4,6-12,14-17,24,31H,2,5,13,28H2,(H,29,33)(H,30,32)/b14-6+/t24-/m0/s1