(E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethylphenyl)but-3-enoic acid Formula: C19H17NO3 MolecularWeight: 307.34318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17NO3/c1-12-7-8-13(2)14(9-12)10-15(11-18(21)22)19-20-16-5-3-4-6-17(16)23-19/h3-10H,11H2,1-2H3,(H,21,22)/b15-10+