4-[4-(1-adamantyl)-3-methoxy-phenyl]-3-methoxy-2-phenyl-benzoic acid

Systemtic Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-3-methoxy-2-phenyl-benzoic acid Openeye Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-3-methoxy-2-phenyl-benzoic acid CAS Name: 4-[4-(1-adamantyl)-3-methoxyphenyl]-3-methoxy-2-phenylbenzoic acid IUPAC Name: 4-[4-(1-adamantyl)-3-methoxyphenyl]-3-methoxy-2-phenylbenzoic acid Traditional Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-3-methoxy-2-phenyl-benzoic acid Formula: C31H32O4 MolecularWeight: 468.58338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32O4/c1-34-27-15-23(8-11-26(27)31-16-19-12-20(17-31)14-21(13-19)18-31)24-9-10-25(30(32)33)28(29(24)35-2)22-6-4-3-5-7-22/h3-11,15,19-21H,12-14,16-18H2,1-2H3,(H,32,33)