6-methoxy-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(1,2,3-triazol-2-yl)oct-4-ynoic acid

Systemtic Name: 6-methoxy-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(1,2,3-triazol-2-yl)oct-4-ynoic acid Openeye Name: 6-methoxy-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoic acid CAS Name: 6-methoxy-8-(5-methyl-2-phenyl-4-oxazolyl)-2-(2-triazolyl)-4-octynoic acid IUPAC Name: 6-methoxy-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoic acid Traditional Name: 6-methoxy-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCC(C#CCC(C(=O)O)N3N=CC=N3)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCC(C#CCC(C(=O)O)N3N=CC=N3)OC

InChI

InChI=1S/C21H22N4O4/c1-15-18(24-20(29-15)16-7-4-3-5-8-16)12-11-17(28-2)9-6-10-19(21(26)27)25-22-13-14-23-25/h3-5,7-8,13-14,17,19H,10-12H2,1-2H3,(H,26,27)