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

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-hexylbenzoate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic 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-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C32H37N3O2 MolecularWeight: 495.65508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C32H37N3O2/c1-2-3-4-6-13-24-19-21-25(22-20-24)32(36)37-28-17-10-9-16-27(28)30-31(33-26-14-7-5-8-15-26)35-23-12-11-18-29(35)34-30/h9-12,16-23,26,33H,2-8,13-15H2,1H3