(E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoate Formula: C22H22NO5- MolecularWeight: 380.41378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C22H23NO5/c1-3-11-27-19-10-9-15(13-20(19)26-4-2)12-16(14-21(24)25)22-23-17-7-5-6-8-18(17)28-22/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,25)/p-1/b16-12+