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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [2-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H26BrN3O3 MolecularWeight: 520.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

InChI

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