7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]hept-5-ynoic acid

Systemtic Name: 7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]hept-5-ynoic acid Openeye Name: 7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxy]hept-5-ynoic acid CAS Name: 7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]ethoxy]-5-heptynoic acid IUPAC Name: 7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]hept-5-ynoic acid Traditional Name: 7-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxy]hept-5-ynoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOCC#CCCCC(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOCC#CCCCC(=O)O

InChI

InChI=1S/C20H21NO6/c1-14-16(9-11-24-10-5-3-2-4-6-19(22)23)21-20(27-14)15-7-8-17-18(12-15)26-13-25-17/h7-8,12H,2,4,6,9-11,13H2,1H3,(H,22,23)