3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid Openeye Name: 3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid CAS Name: 3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid IUPAC Name: 3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid Traditional Name: 3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-2-isoxazoline-5-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)C(=O)O)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-26-19-12-11-17(18-15-21(22(24)25)28-23-18)14-20(19)27-13-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,11-12,14,21H,3,6-7,10,13,15H2,1H3,(H,24,25)