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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-phenylbenzoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C33H30BrN3O3 MolecularWeight: 596.5136

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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=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H30BrN3O3/c1-39-29-20-25(31-32(35-27-10-6-3-7-11-27)37-21-26(34)17-19-30(37)36-31)16-18-28(29)40-33(38)24-14-12-23(13-15-24)22-8-4-2-5-9-22/h2,4-5,8-9,12-21,27,35H,3,6-7,10-11H2,1H3