methyl 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoate

Systemtic Name: methyl 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoate Openeye Name: methyl 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoate CAS Name: 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoate Traditional Name: 4-[3,5,7-tris(4-carbomethoxyphenyl)-1-adamantyl]benzoic acid methyl ester Formula: C42H40O8 MolecularWeight: 672.7622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C=C5)C(=O)OC)C6=CC=C(C=C6)C(=O)OC)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C=C5)C(=O)OC)C6=CC=C(C=C6)C(=O)OC)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C42H40O8/c1-47-35(43)27-5-13-31(14-6-27)39-21-40(32-15-7-28(8-16-32)36(44)48-2)24-41(22-39,33-17-9-29(10-18-33)37(45)49-3)26-42(23-39,25-40)34-19-11-30(12-20-34)38(46)50-4/h5-20H,21-26H2,1-4H3