(2S)-2-[(3-chlorophenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-chlorophenyl)methylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-chlorophenyl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(3-chlorophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-chlorophenyl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-chlorobenzyl)amino]-3-methyl-butyric acid Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H16ClNO2/c1-8(2)11(12(15)16)14-7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m0/s1