methyl 4-methyl-2-[[2,3,6-tris(chloranyl)phenyl]methylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[2,3,6-tris(chloranyl)phenyl]methylamino]pentanoate Openeye Name: methyl 4-methyl-2-[(2,3,6-trichlorophenyl)methylamino]pentanoate CAS Name: 4-methyl-2-[(2,3,6-trichlorophenyl)methylamino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2,3,6-trichlorophenyl)methylamino]pentanoate Traditional Name: 4-methyl-2-[(2,3,6-trichlorobenzyl)amino]valeric acid methyl ester Formula: C14H18Cl3NO2 MolecularWeight: 338.65722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NCC1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)NCC1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C14H18Cl3NO2/c1-8(2)6-12(14(19)20-3)18-7-9-10(15)4-5-11(16)13(9)17/h4-5,8,12,18H,6-7H2,1-3H3