hexadecyl 4-chloranyl-3-[[2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: hexadecyl 4-chloranyl-3-[[2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: hexadecyl 4-chloro-3-[[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2,5-diketo-4,4-dimethyl-imidazolidin-1-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]benzoic acid cetyl ester Formula: C35H54ClN3O6 MolecularWeight: 648.27276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(NC2=O)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(NC2=O)(C)C

InChI

InChI=1S/C35H54ClN3O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-45-31(42)25-21-22-26(36)27(24-25)37-30(41)28(29(40)34(2,3)4)39-32(43)35(5,6)38-33(39)44/h21-22,24,28H,7-20,23H2,1-6H3,(H,37,41)(H,38,44)