methyl 2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]cyclopropane-1-carboxylate

Systemtic Name: methyl 2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]cyclopropane-1-carboxylate Openeye Name: methyl 2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]cyclopropanecarboxylate CAS Name: 2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]cyclopropane-1-carboxylate Traditional Name: 2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]cyclopropanecarboxylic acid methyl ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC1C2=CC=C(C=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1CC1C2=CC=C(C=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30O3/c1-30-26(29)23-12-22(23)20-4-2-19(3-5-20)21-6-7-25(28)24(11-21)27-13-16-8-17(14-27)10-18(9-16)15-27/h2-7,11,16-18,22-23,28H,8-10,12-15H2,1H3