7-[3-(phenylazanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(phenylazanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(anilinomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C20H29NO3 MolecularWeight: 331.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)CNC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)CNC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3/c22-20(23)11-7-2-1-6-10-16-17(19-13-12-18(16)24-19)14-21-15-8-4-3-5-9-15/h3-5,8-9,16-19,21H,1-2,6-7,10-14H2,(H,22,23)