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

Systemtic Name: hexadecyl 4-chloranyl-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: hexadecyl 4-chloro-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2,3-dihydrobenzotriazol-1-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]benzoic acid cetyl ester Formula: C36H53ClN4O4 MolecularWeight: 641.28342

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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)N2C3=CC=CC=C3NN2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C3=CC=CC=C3NN2

InChI

InChI=1S/C36H53ClN4O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-45-35(44)27-23-24-28(37)30(26-27)38-34(43)32(33(42)36(2,3)4)41-31-22-19-18-21-29(31)39-40-41/h18-19,21-24,26,32,39-40H,5-17,20,25H2,1-4H3,(H,38,43)