2-[4-[(E)-7-oxidanyl-7-oxidanylidene-1-pyridin-3-yl-hept-1-enyl]phenyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[4-[(E)-7-oxidanyl-7-oxidanylidene-1-pyridin-3-yl-hept-1-enyl]phenyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[4-[(E)-7-hydroxy-7-oxo-1-(3-pyridyl)hept-1-enyl]phenyl]oxazole-4-carboxylic acid CAS Name: 2-[4-[(E)-7-hydroxy-7-oxo-1-(3-pyridinyl)hept-1-enyl]phenyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[4-[(E)-7-hydroxy-7-oxo-1-pyridin-3-ylhept-1-enyl]phenyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[4-[(E)-7-hydroxy-7-keto-1-(3-pyridyl)hept-1-enyl]phenyl]oxazole-4-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=CCCCCC(=O)O)C2=CC=C(C=C2)C3=NC(=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)/C(=C/CCCCC(=O)O)/C2=CC=C(C=C2)C3=NC(=CO3)C(=O)O

InChI

InChI=1S/C22H20N2O5/c25-20(26)7-3-1-2-6-18(17-5-4-12-23-13-17)15-8-10-16(11-9-15)21-24-19(14-29-21)22(27)28/h4-6,8-14H,1-3,7H2,(H,25,26)(H,27,28)/b18-6+