2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]oxazole-4-carboxylic acid CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-4-oxazolecarboxylic acid IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]oxazole-4-carboxylic acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC(=CO3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC(=CO3)C(=O)O

InChI

InChI=1S/C20H19BrN2O4/c1-2-23(20-22-17(13-27-20)19(24)25)11-15-10-16(21)8-9-18(15)26-12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,24,25)