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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butoxybenzoate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

InChI

InChI=1S/C31H35N3O3/c1-3-4-20-36-25-16-14-23(15-17-25)31(35)37-27-13-9-8-12-26(27)29-30(32-24-10-6-5-7-11-24)34-19-18-22(2)21-28(34)33-29/h8-9,12-19,21,24,32H,3-7,10-11,20H2,1-2H3