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

Systemtic Name: 2-[3-(1-adamantyl)-4-decoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-decoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-decoxyphenyl]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-decoxyphenyl]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-decoxy-phenyl]-1,3-benzoxazole-6-carboxylic acid Formula: C34H43NO4 MolecularWeight: 529.70952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H43NO4/c1-2-3-4-5-6-7-8-9-14-38-30-13-11-26(32-35-29-12-10-27(33(36)37)19-31(29)39-32)18-28(30)34-20-23-15-24(21-34)17-25(16-23)22-34/h10-13,18-19,23-25H,2-9,14-17,20-22H2,1H3,(H,36,37)