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

Systemtic Name: 5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(4-bromophenyl)methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(4-bromophenyl)methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22BrNO4/c1-2-6-18-13-21(20(24)25,27-23-18)19(16-9-11-17(22)12-10-16)26-14-15-7-4-3-5-8-15/h3-5,7-12,19H,2,6,13-14H2,1H3,(H,24,25)