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

Systemtic Name: hexadecyl 3-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: hexadecyl 3-[[2-chloro-2-(1,3-dioxoisoindolin-2-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[2-chloro-2-(1,3-dioxo-2-isoindolyl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-chloro-2-(1,3-dioxoisoindol-2-yl)-4,4-dimethyl-3-oxopentanoyl]amino]benzoate Traditional Name: 3-[(2-chloro-3-keto-4,4-dimethyl-2-phthalimido-pentanoyl)amino]benzoic acid cetyl ester Formula: C38H51ClN2O6 MolecularWeight: 667.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(=O)C(C)(C)C)(N2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(=O)C(C)(C)C)(N2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C38H51ClN2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-47-34(44)28-22-21-23-29(27-28)40-36(46)38(39,35(45)37(2,3)4)41-32(42)30-24-18-19-25-31(30)33(41)43/h18-19,21-25,27H,5-17,20,26H2,1-4H3,(H,40,46)