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

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-methoxy-4-propoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-methoxy-4-propoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-methoxy-4-propoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-methoxy-4-propoxy-phenyl)but-3-enoate Formula: C21H19ClNO5- MolecularWeight: 400.83226

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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)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C21H20ClNO5/c1-3-8-27-20-15(22)10-13(11-18(20)26-2)9-14(12-19(24)25)21-23-16-6-4-5-7-17(16)28-21/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,25)/p-1/b14-9+