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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2,4,5-tris(chloranyl)phenyl]amino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(2,4,5-trichloroanilino)pentanoate CAS Name: 5-oxo-5-(2,4,5-trichloroanilino)pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(2,4,5-trichloroanilino)pentanoate Traditional Name: 5-keto-5-(2,4,5-trichloroanilino)valeric acid 3-phenylpropyl ester Formula: C20H20Cl3NO3 MolecularWeight: 428.7367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl3NO3/c21-15-12-17(23)18(13-16(15)22)24-19(25)9-4-10-20(26)27-11-5-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,24,25)