N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 1,3-thiazole-5-carboxylic acid

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 1,3-thiazole-5-carboxylic acid Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]ethanamine; thiazole-5-carboxylic acid CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 5-thiazolecarboxylic acid IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 1,3-thiazole-5-carboxylic acid Traditional Name: (2-benzoxy-5-bromo-benzyl)-ethyl-amine; thiazole-5-carboxylic acid Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=C(SC=N1)C(=O)O

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=C(SC=N1)C(=O)O

InChI

InChI=1S/C16H18BrNO.C4H3NO2S/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;6-4(7)3-1-5-2-8-3/h3-10,18H,2,11-12H2,1H3;1-2H,(H,6,7)