[3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [3-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H28BrN3O2 MolecularWeight: 518.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

InChI

InChI=1S/C28H28BrN3O2/c1-2-19-11-13-20(14-12-19)28(33)34-24-10-6-7-21(17-24)26-27(30-23-8-4-3-5-9-23)32-18-22(29)15-16-25(32)31-26/h6-7,10-18,23,30H,2-5,8-9H2,1H3