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

Systemtic Name: 5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(4-bromophenyl)methyl]-3-butyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-butyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(4-bromophenyl)methyl]-3-butyl-2-isoxazoline-5-carboxylic acid Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24BrNO4/c1-2-3-9-19-14-22(21(25)26,28-24-19)20(17-10-12-18(23)13-11-17)27-15-16-7-5-4-6-8-16/h4-8,10-13,20H,2-3,9,14-15H2,1H3,(H,25,26)