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

Systemtic Name: dodecyl 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-4,4-dimethyl-1,3-dioxopentyl]amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]-4-chloro-benzoic acid lauryl ester Formula: C32H43ClN4O4 MolecularWeight: 583.16122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C32H43ClN4O4/c1-5-6-7-8-9-10-11-12-13-16-21-41-31(40)23-19-20-24(33)26(22-23)34-30(39)28(29(38)32(2,3)4)37-27-18-15-14-17-25(27)35-36-37/h14-15,17-20,22,28H,5-13,16,21H2,1-4H3,(H,34,39)