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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H28BrN3O2 MolecularWeight: 518.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H28BrN3O2/c29-22-14-17-25-31-27(28(32(25)19-22)30-23-9-5-2-6-10-23)21-12-15-24(16-13-21)34-26(33)18-11-20-7-3-1-4-8-20/h1,3-4,7-8,12-17,19,23,30H,2,5-6,9-11,18H2