3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-N-[1-(2-iodanyl-4-pentyl-phenoxy)propyl]benzamide

Systemtic Name: 3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-N-[1-(2-iodanyl-4-pentyl-phenoxy)propyl]benzamide Openeye Name: 3-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]-N-[1-(2-iodo-4-pentyl-phenoxy)propyl]benzamide CAS Name: 3-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-N-[1-(2-iodo-4-pentylphenoxy)propyl]benzamide IUPAC Name: 3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]-N-[1-(2-iodo-4-pentylphenoxy)propyl]benzamide Traditional Name: N-[1-(4-amyl-2-iodo-phenoxy)propyl]-3-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]benzamide Formula: C28H36ClIN2O4 MolecularWeight: 626.95391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(CC)NC(=O)C2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)Cl)I

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(CC)NC(=O)C2=CC(=CC=C2)NC(=O)C(C(=O)C(C)(C)C)Cl)I

InChI

InChI=1S/C28H36ClIN2O4/c1-6-8-9-11-18-14-15-22(21(30)16-18)36-23(7-2)32-26(34)19-12-10-13-20(17-19)31-27(35)24(29)25(33)28(3,4)5/h10,12-17,23-24H,6-9,11H2,1-5H3,(H,31,35)(H,32,34)