[2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazol-5-yl] hydrogen carbonate

Systemtic Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazol-5-yl] hydrogen carbonate Openeye Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazol-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-[3-(1-adamantyl)-4-methoxyphenyl]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[3-(1-adamantyl)-4-methoxyphenyl]-3H-benzimidazol-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazol-5-yl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)OC(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)OC(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26N2O4/c1-30-22-5-2-17(23-26-20-4-3-18(31-24(28)29)10-21(20)27-23)9-19(22)25-11-14-6-15(12-25)8-16(7-14)13-25/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,26,27)(H,28,29)