(E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethyl-1-benzofuran-3-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethyl-1-benzofuran-3-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethylbenzofuran-3-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethyl-3-benzofuranyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethyl-1-benzofuran-3-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethylbenzofuran-3-yl)but-3-enoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=C(CC(=O)O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17NO4/c1-2-17-15(14-7-3-5-9-18(14)25-17)11-13(12-20(23)24)21-22-16-8-4-6-10-19(16)26-21/h3-11H,2,12H2,1H3,(H,23,24)/b13-11+