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

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C31H35N3O2/c1-2-3-5-12-23-18-20-24(21-19-23)31(35)36-27-16-9-8-15-26(27)29-30(32-25-13-6-4-7-14-25)34-22-11-10-17-28(34)33-29/h8-11,15-22,25,32H,2-7,12-14H2,1H3