3-[4-(5-octyl-2-oxidanylidene-imidazolidin-1-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(5-octyl-2-oxidanylidene-imidazolidin-1-yl)phenyl]propanoic acid Openeye Name: 3-[4-(5-octyl-2-oxo-imidazolidin-1-yl)phenyl]propanoic acid CAS Name: 3-[4-(5-octyl-2-oxo-1-imidazolidinyl)phenyl]propanoic acid IUPAC Name: 3-[4-(5-octyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid Traditional Name: 3-[4-(2-keto-5-octyl-imidazolidin-1-yl)phenyl]propionic acid Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CNC(=O)N1C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCC1CNC(=O)N1C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-18-15-21-20(25)22(18)17-12-9-16(10-13-17)11-14-19(23)24/h9-10,12-13,18H,2-8,11,14-15H2,1H3,(H,21,25)(H,23,24)