5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylic acid Openeye Name: 5-(4-octoxyphenyl)isoxazole-3-carboxylic acid CAS Name: 5-(4-octoxyphenyl)-3-isoxazolecarboxylic acid IUPAC Name: 5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-(4-octoxyphenyl)isoxazole-3-carboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)O

InChI

InChI=1S/C18H23NO4/c1-2-3-4-5-6-7-12-22-15-10-8-14(9-11-15)17-13-16(18(20)21)19-23-17/h8-11,13H,2-7,12H2,1H3,(H,20,21)