[5-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-2-adamantyl] ethanoate

Systemtic Name: [5-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-2-adamantyl] ethanoate Openeye Name: [5-[[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-2-adamantyl] acetate CAS Name: acetic acid [5-[oxo-[4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]anilino]methyl]-2-adamantyl] ester IUPAC Name: [5-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-2-adamantyl] acetate Traditional Name: acetic acid [5-[[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-2-adamantyl] ester Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CC3CC1CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

CC(=O)OC1C2CC3CC1CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C32H31N5O4/c1-18(38)41-28-22-12-19-13-23(28)17-32(15-19,16-22)31(40)34-24-8-5-20(6-9-24)29-35-25-10-7-21(14-26(25)36-29)30(39)37-27-4-2-3-11-33-27/h2-11,14,19,22-23,28H,12-13,15-17H2,1H3,(H,34,40)(H,35,36)(H,33,37,39)