dodecyl 4-chloranyl-3-[[3-[(2-chloranyl-5-dodecoxycarbonyl-phenyl)amino]-3-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[3-[(2-chloranyl-5-dodecoxycarbonyl-phenyl)amino]-3-oxidanylidene-propanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[3-(2-chloro-5-dodecoxycarbonyl-anilino)-3-oxo-propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[3-[2-chloro-5-[dodecoxy(oxo)methyl]anilino]-1,3-dioxopropyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[3-(2-chloro-5-dodecoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-(2-chloro-5-lauryloxycarbonyl-anilino)-3-keto-propanoyl]amino]benzoic acid lauryl ester Formula: C41H60Cl2N2O6 MolecularWeight: 747.8309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCC)Cl

InChI

InChI=1S/C41H60Cl2N2O6/c1-3-5-7-9-11-13-15-17-19-21-27-50-40(48)32-23-25-34(42)36(29-32)44-38(46)31-39(47)45-37-30-33(24-26-35(37)43)41(49)51-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-30H,3-22,27-28,31H2,1-2H3,(H,44,46)(H,45,47)