[3-[[2-oxidanyl-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ethanoate

Systemtic Name: [3-[[2-oxidanyl-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ethanoate Openeye Name: [3-[[2-hydroxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate CAS Name: acetic acid [3-[[2-hydroxy-4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]anilino]-oxomethyl]-1-adamantyl] ester IUPAC Name: [3-[[2-hydroxy-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate Traditional Name: acetic acid [3-[[2-hydroxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ester Formula: C32H31N5O5 MolecularWeight: 565.61904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=C(C=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)O

Isomeric SMILES

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=C(C=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)O

InChI

InChI=1S/C32H31N5O5/c1-18(38)42-32-15-19-10-20(16-32)14-31(13-19,17-32)30(41)36-24-8-5-21(12-26(24)39)28-34-23-7-6-22(11-25(23)35-28)29(40)37-27-4-2-3-9-33-27/h2-9,11-12,19-20,39H,10,13-17H2,1H3,(H,34,35)(H,36,41)(H,33,37,40)