methyl 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoate

Systemtic Name: methyl 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoate Openeye Name: methyl 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoate CAS Name: 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoate Traditional Name: 4-[3-(4-carbomethoxyphenyl)-1-adamantyl]benzoic acid methyl ester Formula: C26H28O4 MolecularWeight: 404.49812

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28O4/c1-29-23(27)19-3-7-21(8-4-19)25-12-17-11-18(13-25)15-26(14-17,16-25)22-9-5-20(6-10-22)24(28)30-2/h3-10,17-18H,11-16H2,1-2H3