3-phenylpropyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]amino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]amino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate CAS Name: 4-oxo-4-(2,4,5-trichloroanilino)butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(2,4,5-trichloroanilino)butanoate Traditional Name: 4-keto-4-(2,4,5-trichloroanilino)butyric acid 3-phenylpropyl ester Formula: C19H18Cl3NO3 MolecularWeight: 414.71012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C19H18Cl3NO3/c20-14-11-16(22)17(12-15(14)21)23-18(24)8-9-19(25)26-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,23,24)