dodecyl 4-chloranyl-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]benzoic acid lauryl ester Formula: C46H72ClNO5 MolecularWeight: 754.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCC)Cl

InChI

InChI=1S/C46H72ClNO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-29-35-52-44-32-28-27-31-40(44)43(49)38-45(50)48-42-37-39(33-34-41(42)47)46(51)53-36-30-26-24-21-14-12-10-8-6-4-2/h27-28,31-34,37H,3-26,29-30,35-36,38H2,1-2H3,(H,48,50)