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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromanylbenzoate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H26BrN3O2 MolecularWeight: 504.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H26BrN3O2/c1-18-15-16-31-24(17-18)30-25(26(31)29-21-7-3-2-4-8-21)22-9-5-6-10-23(22)33-27(32)19-11-13-20(28)14-12-19/h5-6,9-17,21,29H,2-4,7-8H2,1H3