2-[(4-bromophenyl)methylamino]-4-methyl-pentanoate

Systemtic Name: 2-[(4-bromophenyl)methylamino]-4-methyl-pentanoate Openeye Name: 2-[(4-bromophenyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)methylamino]-4-methylpentanoate IUPAC Name: 2-[(4-bromophenyl)methylamino]-4-methylpentanoate Traditional Name: 2-[(4-bromobenzyl)amino]-4-methyl-valerate Formula: C13H17BrNO2- MolecularWeight: 299.18358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NCC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CC(C(=O)[O-])NCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H18BrNO2/c1-9(2)7-12(13(16)17)15-8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)/p-1