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

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methylbenzoate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [3-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-[6-bromo-3-(cyclohexylamino)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=CC=CC=C1C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

InChI

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