[4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate CAS Name: octanoic acid [4-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate Traditional Name: caprylic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4

InChI

InChI=1S/C28H37N3O2/c1-3-4-5-6-10-13-26(32)33-24-16-14-22(15-17-24)27-28(29-23-11-8-7-9-12-23)31-19-18-21(2)20-25(31)30-27/h14-20,23,29H,3-13H2,1-2H3