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

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C27H26BrN3O3 MolecularWeight: 520.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H26BrN3O3/c1-33-23-17-19(12-15-22(23)34-27(32)18-10-13-20(28)14-11-18)25-26(29-21-7-3-2-4-8-21)31-16-6-5-9-24(31)30-25/h5-6,9-17,21,29H,2-4,7-8H2,1H3