dodecyl 4-chloranyl-3,5-bis[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3,5-bis[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3,5-bis[(4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3,5-bis[(3-keto-4,4-dimethyl-pentanoyl)amino]benzoic acid lauryl ester Formula: C33H51ClN2O6 MolecularWeight: 607.22084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)NC(=O)CC(=O)C(C)(C)C)Cl)NC(=O)CC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)NC(=O)CC(=O)C(C)(C)C)Cl)NC(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C33H51ClN2O6/c1-8-9-10-11-12-13-14-15-16-17-18-42-31(41)23-19-24(35-28(39)21-26(37)32(2,3)4)30(34)25(20-23)36-29(40)22-27(38)33(5,6)7/h19-20H,8-18,21-22H2,1-7H3,(H,35,39)(H,36,40)