(E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,4-dipropoxyphenyl)but-3-enoic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-11-27-18-10-9-16(21(15-18)28-12-4-2)13-17(14-22(25)26)23-24-19-7-5-6-8-20(19)29-23/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,25,26)/b17-13+