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

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C27H27N3O3/c1-32-23-12-6-5-11-22(23)27(31)33-21-16-14-19(15-17-21)25-26(28-20-9-3-2-4-10-20)30-18-8-7-13-24(30)29-25/h5-8,11-18,20,28H,2-4,9-10H2,1H3