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

Systemtic Name: 4-[4-(octylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dihydroxy-4-[4-(octylamino)phenyl]-4-oxo-butanoic acid CAS Name: 2,3-dihydroxy-4-[4-(octylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 2,3-dihydroxy-4-[4-(octylamino)phenyl]-4-oxobutanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-(octylamino)phenyl]butyric acid Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-2-3-4-5-6-7-12-19-14-10-8-13(9-11-14)15(20)16(21)17(22)18(23)24/h8-11,16-17,19,21-22H,2-7,12H2,1H3,(H,23,24)