4-[3-(4-carboxyphenyl)-5-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-5-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-5-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-5-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-5-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3-(4-carbomethoxyphenyl)-5-(4-carboxyphenyl)-1-adamantyl]benzoic acid Formula: C32H30O6 MolecularWeight: 510.577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C32H30O6/c1-38-29(37)23-6-12-26(13-7-23)32-16-20-14-30(18-32,24-8-2-21(3-9-24)27(33)34)17-31(15-20,19-32)25-10-4-22(5-11-25)28(35)36/h2-13,20H,14-19H2,1H3,(H,33,34)(H,35,36)