4-(4-chloranyl-2-methyl-phenoxy)butanoic acid; N-methylmethanamine

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)butanoic acid; N-methylmethanamine Openeye Name: 4-(4-chloro-2-methyl-phenoxy)butanoic acid; N-methylmethanamine CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid; N-methylmethanamine IUPAC Name: 4-(4-chloro-2-methylphenoxy)butanoic acid; N-methylmethanamine Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid; dimethylamine Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)O.CNC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)O.CNC

InChI

InChI=1S/C11H13ClO3.C2H7N/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;1-3-2/h4-5,7H,2-3,6H2,1H3,(H,13,14);3H,1-2H3