methyl 2-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-3-methylpentanoate Traditional Name: 2-[(3,5-dichloro-2-hydroxy-benzyl)amino]-3-methyl-valeric acid methyl ester Formula: C14H19Cl2NO3 MolecularWeight: 320.21156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC(=CC(=C1O)Cl)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC(=CC(=C1O)Cl)Cl

InChI

InChI=1S/C14H19Cl2NO3/c1-4-8(2)12(14(19)20-3)17-7-9-5-10(15)6-11(16)13(9)18/h5-6,8,12,17-18H,4,7H2,1-3H3