4-[3-(hexylcarbamoyl)-4-oxidanyl-phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(hexylcarbamoyl)-4-oxidanyl-phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(hexylcarbamoyl)-4-hydroxy-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[3-[(hexylamino)-oxomethyl]-4-hydroxyphenoxy]-4-oxobutanoic acid IUPAC Name: 4-[3-(hexylcarbamoyl)-4-hydroxyphenoxy]-4-oxobutanoic acid Traditional Name: 4-[3-(hexylcarbamoyl)-4-hydroxy-phenoxy]-4-keto-butyric acid Formula: C17H23NO6 MolecularWeight: 337.36762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(C=CC(=C1)OC(=O)CCC(=O)O)O

Isomeric SMILES

CCCCCCNC(=O)C1=C(C=CC(=C1)OC(=O)CCC(=O)O)O

InChI

InChI=1S/C17H23NO6/c1-2-3-4-5-10-18-17(23)13-11-12(6-7-14(13)19)24-16(22)9-8-15(20)21/h6-7,11,19H,2-5,8-10H2,1H3,(H,18,23)(H,20,21)