(2S)-N-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]butan-2-amine

Systemtic Name: (2S)-N-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]butan-2-amine Openeye Name: (2S)-N-[(4-benzyloxy-3,5-dibromo-phenyl)methyl]butan-2-amine CAS Name: (2S)-N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-butanamine IUPAC Name: (2S)-N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]butan-2-amine Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-[(1S)-1-methylpropyl]amine Formula: C18H21Br2NO MolecularWeight: 427.17344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

Isomeric SMILES

CC[C@H](C)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H21Br2NO/c1-3-13(2)21-11-15-9-16(19)18(17(20)10-15)22-12-14-7-5-4-6-8-14/h4-10,13,21H,3,11-12H2,1-2H3/t13-/m0/s1