2-[4-(octylamino)phenyl]carbonylpropanedioic acid

Systemtic Name: 2-[4-(octylamino)phenyl]carbonylpropanedioic acid Openeye Name: 2-[4-(octylamino)benzoyl]propanedioic acid CAS Name: 2-[[4-(octylamino)phenyl]-oxomethyl]propanedioic acid IUPAC Name: 2-[4-(octylamino)benzoyl]propanedioic acid Traditional Name: 2-[4-(octylamino)benzoyl]malonic acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO5/c1-2-3-4-5-6-7-12-19-14-10-8-13(9-11-14)16(20)15(17(21)22)18(23)24/h8-11,15,19H,2-7,12H2,1H3,(H,21,22)(H,23,24)