(E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)but-3-enoate Formula: C20H17BrNO5- MolecularWeight: 431.25668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)Br)OC

InChI

InChI=1S/C20H18BrNO5/c1-3-26-17-10-12(9-14(21)19(17)25-2)8-13(11-18(23)24)20-22-15-6-4-5-7-16(15)27-20/h4-10H,3,11H2,1-2H3,(H,23,24)/p-1/b13-8+