2-[5-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-yl]-4-phenyl-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 2-[5-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-yl]-4-phenyl-1,3-oxazol-2-yl]benzoic acid Openeye Name: 2-[5-(1-ethoxycarbonyl-2-oxo-propyl)-4-phenyl-oxazol-2-yl]benzoic acid CAS Name: 2-[5-(1-ethoxy-1,3-dioxobutan-2-yl)-4-phenyl-2-oxazolyl]benzoic acid IUPAC Name: 2-[5-(1-ethoxy-1,3-dioxobutan-2-yl)-4-phenyl-1,3-oxazol-2-yl]benzoic acid Traditional Name: 2-[5-(1-carbethoxy-2-keto-propyl)-4-phenyl-oxazol-2-yl]benzoic acid Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N=C(O1)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(N=C(O1)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H19NO6/c1-3-28-22(27)17(13(2)24)19-18(14-9-5-4-6-10-14)23-20(29-19)15-11-7-8-12-16(15)21(25)26/h4-12,17H,3H2,1-2H3,(H,25,26)