2-[3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-phenyl]-6-phenylmethoxy-1H-benzimidazole

Systemtic Name: 2-[3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-phenyl]-6-phenylmethoxy-1H-benzimidazole Openeye Name: 2-[3-(1-adamantyl)-4-benzyloxy-5-methoxy-phenyl]-6-benzyloxy-1H-benzimidazole CAS Name: 2-[3-(1-adamantyl)-5-methoxy-4-phenylmethoxyphenyl]-6-phenylmethoxy-1H-benzimidazole IUPAC Name: 2-[3-(1-adamantyl)-5-methoxy-4-phenylmethoxyphenyl]-6-phenylmethoxy-1H-benzimidazole Traditional Name: 2-[3-(1-adamantyl)-4-benzoxy-5-methoxy-phenyl]-6-benzoxy-1H-benzimidazole Formula: C38H38N2O3 MolecularWeight: 570.71992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C6=NC7=C(N6)C=C(C=C7)OCC8=CC=CC=C8

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C6=NC7=C(N6)C=C(C=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C38H38N2O3/c1-41-35-18-30(37-39-33-13-12-31(19-34(33)40-37)42-23-25-8-4-2-5-9-25)17-32(36(35)43-24-26-10-6-3-7-11-26)38-20-27-14-28(21-38)16-29(15-27)22-38/h2-13,17-19,27-29H,14-16,20-24H2,1H3,(H,39,40)