6-[4-(1-adamantyl)-3-phenylmethoxy-phenyl]selanylpyridine-3-carboxylic acid

Systemtic Name: 6-[4-(1-adamantyl)-3-phenylmethoxy-phenyl]selanylpyridine-3-carboxylic acid Openeye Name: 6-[4-(1-adamantyl)-3-benzyloxy-phenyl]selanylpyridine-3-carboxylic acid CAS Name: 6-[[4-(1-adamantyl)-3-phenylmethoxyphenyl]seleno]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-(1-adamantyl)-3-phenylmethoxyphenyl]selanylpyridine-3-carboxylic acid Traditional Name: 6-[[4-(1-adamantyl)-3-benzoxy-phenyl]seleno]nicotinic acid Formula: C29H29NO3Se MolecularWeight: 518.50546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)[Se]C5=NC=C(C=C5)C(=O)O)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)[Se]C5=NC=C(C=C5)C(=O)O)OCC6=CC=CC=C6

InChI

InChI=1S/C29H29NO3Se/c31-28(32)23-6-9-27(30-17-23)34-24-7-8-25(26(13-24)33-18-19-4-2-1-3-5-19)29-14-20-10-21(15-29)12-22(11-20)16-29/h1-9,13,17,20-22H,10-12,14-16,18H2,(H,31,32)