[2-[4-acetyloxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] ethanoate

Systemtic Name: [2-[4-acetyloxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] ethanoate Openeye Name: [2-[4-acetoxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] acetate CAS Name: acetic acid [2-[4-acetyloxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[4-acetyloxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] acetate Traditional Name: acetic acid [2-[4-acetoxy-3-(1-adamantyl)phenyl]-3H-benzimidazol-5-yl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OC(=O)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OC(=O)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O4/c1-15(30)32-21-4-5-23-24(11-21)29-26(28-23)20-3-6-25(33-16(2)31)22(10-20)27-12-17-7-18(13-27)9-19(8-17)14-27/h3-6,10-11,17-19H,7-9,12-14H2,1-2H3,(H,28,29)