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

Systemtic Name: 4-(1-adamantyl)-3-phenylmethoxy-benzoic acid Openeye Name: 4-(1-adamantyl)-3-benzyloxy-benzoic acid CAS Name: 4-(1-adamantyl)-3-phenylmethoxybenzoic acid IUPAC Name: 4-(1-adamantyl)-3-phenylmethoxybenzoic acid Traditional Name: 4-(1-adamantyl)-3-benzoxy-benzoic acid Formula: C24H26O3 MolecularWeight: 362.46144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C24H26O3/c25-23(26)20-6-7-21(22(11-20)27-15-16-4-2-1-3-5-16)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2,(H,25,26)