tert-butyl 2-[4-[(2-phenylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[(2-phenylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 2-[4-[(2-phenylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]cyclohexanecarboxylate CAS Name: 2-[4-[(2-phenyl-3-imidazo[4,5-b]pyridinyl)methyl]phenyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-phenylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 2-[4-[(2-phenylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCCC1C2=CC=C(C=C2)CN3C4=C(C=CC=N4)N=C3C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCCC1C2=CC=C(C=C2)CN3C4=C(C=CC=N4)N=C3C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2/c1-30(2,3)35-29(34)25-13-8-7-12-24(25)22-17-15-21(16-18-22)20-33-27(23-10-5-4-6-11-23)32-26-14-9-19-31-28(26)33/h4-6,9-11,14-19,24-25H,7-8,12-13,20H2,1-3H3