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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

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