[3-[6-bromanyl-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate

Systemtic Name: [3-[6-bromanyl-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate Openeye Name: [3-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [3-[6-bromo-3-(tert-butylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [3-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H28BrN3O2 MolecularWeight: 506.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC(C)(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC(C)(C)C

InChI

InChI=1S/C27H28BrN3O2/c1-5-22(18-10-7-6-8-11-18)26(32)33-21-13-9-12-19(16-21)24-25(30-27(2,3)4)31-17-20(28)14-15-23(31)29-24/h6-17,22,30H,5H2,1-4H3