2-[4-[(E)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]non-3-enyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[(E)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]non-3-enyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[(E)-2-[(4-hydroxy-4-oxo-butanoyl)amino]non-3-enyl]phenoxy]propanedioic acid CAS Name: 2-[4-[(E)-2-[(4-hydroxy-1,4-dioxobutyl)amino]non-3-enyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[(E)-2-[(4-hydroxy-4-oxobutanoyl)amino]non-3-enyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[(E)-2-[(4-hydroxy-4-keto-butanoyl)amino]non-3-enyl]phenoxy]malonic acid Formula: C22H29NO8 MolecularWeight: 435.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCC/C=C/C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H29NO8/c1-2-3-4-5-6-7-16(23-18(24)12-13-19(25)26)14-15-8-10-17(11-9-15)31-20(21(27)28)22(29)30/h6-11,16,20H,2-5,12-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b7-6+