5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(4-bromophenyl)methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(4-bromophenyl)methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20BrNO4/c1-2-17-12-20(19(23)24,26-22-17)18(15-8-10-16(21)11-9-15)25-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,23,24)