methyl (2S)-2-[(2-bromophenyl)methyl-methyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-bromophenyl)methyl-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(2-bromophenyl)methyl-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-bromophenyl)methyl-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-bromophenyl)methyl-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzyl)-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(C)CC1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(C)CC1=CC=CC=C1Br

InChI

InChI=1S/C14H20BrNO2/c1-10(2)13(14(17)18-4)16(3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,9H2,1-4H3/t13-/m0/s1