3-(4-chloranyl-2-methyl-phenoxy)propanoic acid; N-methylmethanamine

Systemtic Name: 3-(4-chloranyl-2-methyl-phenoxy)propanoic acid; N-methylmethanamine Openeye Name: 3-(4-chloro-2-methyl-phenoxy)propanoic acid; N-methylmethanamine CAS Name: 3-(4-chloro-2-methylphenoxy)propanoic acid; N-methylmethanamine IUPAC Name: 3-(4-chloro-2-methylphenoxy)propanoic acid; N-methylmethanamine Traditional Name: 3-(4-chloro-2-methyl-phenoxy)propionic acid; dimethylamine Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO3.C2H7N/c1-7-6-8(11)2-3-9(7)14-5-4-10(12)13;1-3-2/h2-3,6H,4-5H2,1H3,(H,12,13);3H,1-2H3