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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[6-bromo-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=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrN3O3/c1-33-23-16-19(12-14-22(23)34-27(32)18-8-4-2-5-9-18)25-26(29-21-10-6-3-7-11-21)31-17-20(28)13-15-24(31)30-25/h2,4-5,8-9,12-17,21,29H,3,6-7,10-11H2,1H3