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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H30BrN3O2 MolecularWeight: 532.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

InChI

InChI=1S/C29H30BrN3O2/c1-2-23(20-11-5-3-6-12-20)29(34)35-25-16-10-9-15-24(25)27-28(31-22-13-7-4-8-14-22)33-19-21(30)17-18-26(33)32-27/h3,5-6,9-12,15-19,22-23,31H,2,4,7-8,13-14H2,1H3