2-[3-(1-adamantyl)-4-methoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H25NO4/c1-29-21-5-3-17(23-26-20-4-2-18(24(27)28)10-22(20)30-23)9-19(21)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,27,28)