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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C30H32BrN3O2 MolecularWeight: 546.49798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32BrN3O2/c1-30(2,3)22-13-9-21(10-14-22)29(35)36-25-16-11-20(12-17-25)27-28(32-24-7-5-4-6-8-24)34-19-23(31)15-18-26(34)33-27/h9-19,24,32H,4-8H2,1-3H3