(E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromanyl-2-propoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromanyl-2-propoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-propoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-propoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-propoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-propoxy-phenyl)but-3-enoic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18BrNO4/c1-2-9-25-17-8-7-15(21)11-13(17)10-14(12-19(23)24)20-22-16-5-3-4-6-18(16)26-20/h3-8,10-11H,2,9,12H2,1H3,(H,23,24)/b14-10+