methyl 4-[[2,2,2-tris(chloranyl)-1-(decanoylamino)ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2,2,2-tris(chloranyl)-1-(decanoylamino)ethyl]amino]benzoate Openeye Name: methyl 4-[[2,2,2-trichloro-1-(decanoylamino)ethyl]amino]benzoate CAS Name: 4-[[2,2,2-trichloro-1-(1-oxodecylamino)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2,2,2-trichloro-1-(decanoylamino)ethyl]amino]benzoate Traditional Name: 4-[[1-(caprylamino)-2,2,2-trichloro-ethyl]amino]benzoic acid methyl ester Formula: C20H29Cl3N2O3 MolecularWeight: 451.81486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C20H29Cl3N2O3/c1-3-4-5-6-7-8-9-10-17(26)25-19(20(21,22)23)24-16-13-11-15(12-14-16)18(27)28-2/h11-14,19,24H,3-10H2,1-2H3,(H,25,26)