2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxylic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC5=NC6=C(O5)C=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC5=NC6=C(O5)C=CC(=C6)C(=O)O

InChI

InChI=1S/C25H25NO4/c27-24(28)18-1-6-22-21(10-18)26-23(30-22)14-29-20-4-2-19(3-5-20)25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2,(H,27,28)