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

Systemtic Name: 2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(4-benzyloxyphenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 2-oxo-4-(4-phenylmethoxyphenyl)-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 2-oxo-4-(4-phenylmethoxyphenyl)-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(4-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=C(C=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

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

InChI

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