3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-benzoic acid

Systemtic Name: 3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-benzoic acid Openeye Name: 3-(1-adamantyl)-4-benzyloxy-5-methoxy-benzoic acid CAS Name: 3-(1-adamantyl)-5-methoxy-4-phenylmethoxybenzoic acid IUPAC Name: 3-(1-adamantyl)-5-methoxy-4-phenylmethoxybenzoic acid Traditional Name: 3-(1-adamantyl)-4-benzoxy-5-methoxy-benzoic acid Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C25H28O4/c1-28-22-11-20(24(26)27)10-21(23(22)29-15-16-5-3-2-4-6-16)25-12-17-7-18(13-25)9-19(8-17)14-25/h2-6,10-11,17-19H,7-9,12-15H2,1H3,(H,26,27)