(E)-2-oxidanylidene-4-(3-phenylmethoxyphenyl)-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (E)-2-oxidanylidene-4-(3-phenylmethoxyphenyl)-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (E)-4-(3-benzyloxyphenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (E)-2-oxo-4-(3-phenylmethoxyphenyl)-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (E)-2-oxo-4-(3-phenylmethoxyphenyl)-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (E)-4-(3-benzoxyphenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C26H19NO4 MolecularWeight: 409.43336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C(\C3=NC4=CC=CC=C4C=C3)/C(=O)C(=O)O

InChI

InChI=1S/C26H19NO4/c28-25(26(29)30)22(24-14-13-20-10-4-5-12-23(20)27-24)16-19-9-6-11-21(15-19)31-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,30)/b22-16+