2-[4-[2-(methylamino)pyridin-4-yl]butanoyl-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[4-[2-(methylamino)pyridin-4-yl]butanoyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[4-[2-(methylamino)-4-pyridyl]butanoyl-phenethyl-amino]acetic acid CAS Name: 2-[[4-[2-(methylamino)-4-pyridinyl]-1-oxobutyl]-phenethylamino]acetic acid IUPAC Name: 2-[4-[2-(methylamino)pyridin-4-yl]butanoyl-phenethylamino]acetic acid Traditional Name: 2-[4-[2-(methylamino)-4-pyridyl]butanoyl-phenethyl-amino]acetic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=C1)CCCC(=O)N(CCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CNC1=NC=CC(=C1)CCCC(=O)N(CCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C20H25N3O3/c1-21-18-14-17(10-12-22-18)8-5-9-19(24)23(15-20(25)26)13-11-16-6-3-2-4-7-16/h2-4,6-7,10,12,14H,5,8-9,11,13,15H2,1H3,(H,21,22)(H,25,26)