[3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromanylbenzoate

Systemtic Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromanylbenzoate Openeye Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[3-(tert-butylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H24BrN3O2/c1-16-12-13-29-21(14-16)27-22(23(29)28-25(2,3)4)18-6-5-7-20(15-18)31-24(30)17-8-10-19(26)11-9-17/h5-15,28H,1-4H3