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

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)but-3-enoic acid Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C22H22ClNO5/c1-3-9-28-21-16(23)11-14(12-19(21)27-4-2)10-15(13-20(25)26)22-24-17-7-5-6-8-18(17)29-22/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,26)/b15-10+