4-[[3-chloranyl-4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-cyclobutyl-amino]butanoic acid

Systemtic Name: 4-[[3-chloranyl-4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-cyclobutyl-amino]butanoic acid Openeye Name: 4-[3-chloro-N-cyclobutyl-4-[2-(4-pyridylamino)ethoxy]anilino]butanoic acid CAS Name: 4-[3-chloro-N-cyclobutyl-4-[2-(pyridin-4-ylamino)ethoxy]anilino]butanoic acid IUPAC Name: 4-[3-chloro-N-cyclobutyl-4-[2-(pyridin-4-ylamino)ethoxy]anilino]butanoic acid Traditional Name: 4-[3-chloro-N-cyclobutyl-4-[2-(4-pyridylamino)ethoxy]anilino]butyric acid Formula: C21H26ClN3O3 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N(CCCC(=O)O)C2=CC(=C(C=C2)OCCNC3=CC=NC=C3)Cl

Isomeric SMILES

C1CC(C1)N(CCCC(=O)O)C2=CC(=C(C=C2)OCCNC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H26ClN3O3/c22-19-15-18(25(17-3-1-4-17)13-2-5-21(26)27)6-7-20(19)28-14-12-24-16-8-10-23-11-9-16/h6-11,15,17H,1-5,12-14H2,(H,23,24)(H,26,27)