5-[3-[(E)-3-(3-oxidanyl-2-propanoyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[(E)-3-(3-oxidanyl-2-propanoyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[(E)-3-(3-hydroxy-2-propanoyl-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[(E)-3-[3-hydroxy-2-(1-oxopropyl)phenoxy]prop-1-enyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[(E)-3-(3-hydroxy-2-propanoylphenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[(E)-3-(3-hydroxy-2-propionyl-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC=C1OCC=CC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

Isomeric SMILES

CCC(=O)C1=C(C=CC=C1OC/C=C/C2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

InChI

InChI=1S/C22H19NO6/c1-2-17(24)21-18(25)9-4-10-19(21)28-11-5-7-14-6-3-8-15(12-14)20-13-16(22(26)27)23-29-20/h3-10,12-13,25H,2,11H2,1H3,(H,26,27)/b7-5+