5-hexyl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 5-hexyl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 5-hexyl-2-[(E)-styryl]oxazole-4-carboxylic acid CAS Name: 5-hexyl-2-[(E)-2-phenylethenyl]-4-oxazolecarboxylic acid IUPAC Name: 5-hexyl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 5-hexyl-2-[(E)-styryl]oxazole-4-carboxylic acid Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(O1)C=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO3/c1-2-3-4-8-11-15-17(18(20)21)19-16(22-15)13-12-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,20,21)/b13-12+