(E)-3-(1,3-benzoxazol-2-yl)-4-(3-methoxy-4-phenylmethoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-methoxy-4-phenylmethoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-benzyloxy-3-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(3-methoxy-4-phenylmethoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-benzoxy-3-methoxy-phenyl)but-3-enoic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO5/c1-29-23-14-18(11-12-22(23)30-16-17-7-3-2-4-8-17)13-19(15-24(27)28)25-26-20-9-5-6-10-21(20)31-25/h2-14H,15-16H2,1H3,(H,27,28)/b19-13+