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

Systemtic Name: [3-[[3-methoxy-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ethanoate Openeye Name: [3-[[3-methoxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate CAS Name: acetic acid [3-[[3-methoxy-4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]anilino]-oxomethyl]-1-adamantyl] ester IUPAC Name: [3-[[3-methoxy-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate Traditional Name: acetic acid [3-[[3-methoxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ester Formula: C33H33N5O5 MolecularWeight: 579.64562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33N5O5/c1-19(39)43-33-16-20-11-21(17-33)15-32(14-20,18-33)31(41)35-23-7-8-24(27(13-23)42-2)29-36-25-9-6-22(12-26(25)37-29)30(40)38-28-5-3-4-10-34-28/h3-10,12-13,20-21H,11,14-18H2,1-2H3,(H,35,41)(H,36,37)(H,34,38,40)