methyl (2S)-2-[1-(3-bromophenyl)propylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[1-(3-bromophenyl)propylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[1-(3-bromophenyl)propylamino]-3-methyl-butanoate CAS Name: (2S)-2-[1-(3-bromophenyl)propylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(3-bromophenyl)propylamino]-3-methylbutanoate Traditional Name: (2S)-2-[1-(3-bromophenyl)propylamino]-3-methyl-butyric acid methyl ester Formula: C15H22BrNO2 MolecularWeight: 328.24468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Br)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=CC=C1)Br)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C15H22BrNO2/c1-5-13(11-7-6-8-12(16)9-11)17-14(10(2)3)15(18)19-4/h6-10,13-14,17H,5H2,1-4H3/t13?,14-/m0/s1