1-adamantyl (1S,2R,3S)-2-phenacyl-3-phenyl-cyclopropane-1-carboxylate

Systemtic Name: 1-adamantyl (1S,2R,3S)-2-phenacyl-3-phenyl-cyclopropane-1-carboxylate Openeye Name: 1-adamantyl (1S,2R,3S)-2-phenacyl-3-phenyl-cyclopropanecarboxylate CAS Name: (1S,2R,3S)-2-phenacyl-3-phenyl-1-cyclopropanecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (1S,2R,3S)-2-phenacyl-3-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2R,3S)-2-phenacyl-3-phenyl-cyclopropanecarboxylic acid 1-adamantyl ester Formula: C28H30O3 MolecularWeight: 414.536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4C(C4C5=CC=CC=C5)CC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)[C@H]4[C@@H]([C@@H]4C5=CC=CC=C5)CC(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H30O3/c29-24(21-7-3-1-4-8-21)14-23-25(22-9-5-2-6-10-22)26(23)27(30)31-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-10,18-20,23,25-26H,11-17H2/t18?,19?,20?,23-,25+,26+,28?/m1/s1