(3-fluoranyl-4-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C27H31FO3 MolecularWeight: 422.531643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC(=C(C=C5)OC)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC(=C(C=C5)OC)F)C

InChI

InChI=1S/C27H31FO3/c1-17-4-6-22(8-18(17)2)26-11-20-9-21(12-26)14-27(13-20,16-26)25(29)31-15-19-5-7-24(30-3)23(28)10-19/h4-8,10,20-21H,9,11-16H2,1-3H3