6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxy-phenyl]selanylpyridine-3-carboxylic acid

Systemtic Name: 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxy-phenyl]selanylpyridine-3-carboxylic acid Openeye Name: 6-[5-(1-adamantyl)-4-benzyloxy-2-methyl-phenyl]selanylpyridine-3-carboxylic acid CAS Name: 6-[[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]seleno]-3-pyridinecarboxylic acid IUPAC Name: 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]selanylpyridine-3-carboxylic acid Traditional Name: 6-[[5-(1-adamantyl)-4-benzoxy-2-methyl-phenyl]seleno]nicotinic acid Formula: C30H31NO3Se MolecularWeight: 532.53204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)[Se]C6=NC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)[Se]C6=NC=C(C=C6)C(=O)O

InChI

InChI=1S/C30H31NO3Se/c1-19-9-26(34-18-20-5-3-2-4-6-20)25(30-14-21-10-22(15-30)12-23(11-21)16-30)13-27(19)35-28-8-7-24(17-31-28)29(32)33/h2-9,13,17,21-23H,10-12,14-16,18H2,1H3,(H,32,33)