2-[(5-chloranyl-2-methoxy-phenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)amino]-3-methyl-butyric acid Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C(C=CC(=C1)Cl)OC

InChI

InChI=1S/C13H18ClNO3/c1-8(2)12(13(16)17)15-7-9-6-10(14)4-5-11(9)18-3/h4-6,8,12,15H,7H2,1-3H3,(H,16,17)