2-[[4-(dodecanoylamino)phenyl]methylidene]propanedioic acid

Systemtic Name: 2-[[4-(dodecanoylamino)phenyl]methylidene]propanedioic acid Openeye Name: 2-[[4-(dodecanoylamino)phenyl]methylene]propanedioic acid CAS Name: 2-[[4-(1-oxododecylamino)phenyl]methylidene]propanedioic acid IUPAC Name: 2-[[4-(dodecanoylamino)phenyl]methylidene]propanedioic acid Traditional Name: 2-[4-(lauroylamino)benzylidene]malonic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C22H31NO5/c1-2-3-4-5-6-7-8-9-10-11-20(24)23-18-14-12-17(13-15-18)16-19(21(25)26)22(27)28/h12-16H,2-11H2,1H3,(H,23,24)(H,25,26)(H,27,28)