[2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H34BrN3O2 MolecularWeight: 512.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC=CC=C1C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC=CC=C1C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

InChI

InChI=1S/C27H34BrN3O2/c1-3-5-11-19(4-2)27(32)33-23-15-10-9-14-22(23)25-26(29-21-12-7-6-8-13-21)31-18-20(28)16-17-24(31)30-25/h9-10,14-19,21,29H,3-8,11-13H2,1-2H3