3-[8-[(6-azanylhexanoylamino)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid

Systemtic Name: 3-[8-[(6-azanylhexanoylamino)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid Openeye Name: 3-[8-[(6-aminohexanoylamino)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid CAS Name: 3-[8-[[(6-amino-1-oxohexyl)amino]methyl]-2-imidazo[1,2-a]pyridinyl]benzoic acid IUPAC Name: 3-[8-[(6-aminohexanoylamino)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid Traditional Name: 3-[8-[(6-aminohexanoylamino)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CN3C=CC=C(C3=N2)CNC(=O)CCCCCN

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CN3C=CC=C(C3=N2)CNC(=O)CCCCCN

InChI

InChI=1S/C21H24N4O3/c22-10-3-1-2-9-19(26)23-13-17-8-5-11-25-14-18(24-20(17)25)15-6-4-7-16(12-15)21(27)28/h4-8,11-12,14H,1-3,9-10,13,22H2,(H,23,26)(H,27,28)