3-[4-(8-cyclohexyloctylamino)phenyl]-2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(8-cyclohexyloctylamino)phenyl]-2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(8-cyclohexyloctylamino)phenyl]-2-hydroxy-2-(hydroxymethyl)-3-oxo-propanoic acid CAS Name: 3-[4-(8-cyclohexyloctylamino)phenyl]-2-hydroxy-2-(hydroxymethyl)-3-oxopropanoic acid IUPAC Name: 3-[4-(8-cyclohexyloctylamino)phenyl]-2-hydroxy-2-(hydroxymethyl)-3-oxopropanoic acid Traditional Name: 3-[4-(8-cyclohexyloctylamino)phenyl]-2-hydroxy-3-keto-2-methylol-propionic acid Formula: C24H37NO5 MolecularWeight: 419.55428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)C(CO)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)C(CO)(C(=O)O)O

InChI

InChI=1S/C24H37NO5/c26-18-24(30,23(28)29)22(27)20-13-15-21(16-14-20)25-17-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h13-16,19,25-26,30H,1-12,17-18H2,(H,28,29)