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

Systemtic Name: methyl 4-[3-(4-methoxycarbonylphenyl)-5,7-dimethyl-1-adamantyl]benzoate Openeye Name: methyl 4-[3-(4-methoxycarbonylphenyl)-5,7-dimethyl-1-adamantyl]benzoate CAS Name: 4-[3-(4-methoxycarbonylphenyl)-5,7-dimethyl-1-adamantyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxycarbonylphenyl)-5,7-dimethyl-1-adamantyl]benzoate Traditional Name: 4-[3-(4-carbomethoxyphenyl)-5,7-dimethyl-1-adamantyl]benzoic acid methyl ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C4=CC=C(C=C4)C(=O)OC)C5=CC=C(C=C5)C(=O)OC)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C4=CC=C(C=C4)C(=O)OC)C5=CC=C(C=C5)C(=O)OC)C

InChI

InChI=1S/C28H32O4/c1-25-13-26(2)16-27(14-25,21-9-5-19(6-10-21)23(29)31-3)18-28(15-25,17-26)22-11-7-20(8-12-22)24(30)32-4/h5-12H,13-18H2,1-4H3