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

Systemtic Name: 4-[4-(nonadecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dihydroxy-4-[4-(nonadecylamino)phenyl]-4-oxo-butanoic acid CAS Name: 2,3-dihydroxy-4-[4-(nonadecylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 2,3-dihydroxy-4-[4-(nonadecylamino)phenyl]-4-oxobutanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-(nonadecylamino)phenyl]butyric acid Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C29H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-25-21-19-24(20-22-25)26(31)27(32)28(33)29(34)35/h19-22,27-28,30,32-33H,2-18,23H2,1H3,(H,34,35)