2,3-bis(oxidanyl)-4-oxidanylidene-4-[4-(undecylamino)phenyl]butanoic acid

Systemtic Name: 2,3-bis(oxidanyl)-4-oxidanylidene-4-[4-(undecylamino)phenyl]butanoic acid Openeye Name: 2,3-dihydroxy-4-oxo-4-[4-(undecylamino)phenyl]butanoic acid CAS Name: 2,3-dihydroxy-4-oxo-4-[4-(undecylamino)phenyl]butanoic acid IUPAC Name: 2,3-dihydroxy-4-oxo-4-[4-(undecylamino)phenyl]butanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-(undecylamino)phenyl]butyric acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C21H33NO5/c1-2-3-4-5-6-7-8-9-10-15-22-17-13-11-16(12-14-17)18(23)19(24)20(25)21(26)27/h11-14,19-20,22,24-25H,2-10,15H2,1H3,(H,26,27)