1-adamantyl 2-[(1S,2R,3R)-2-phenyl-3-(phenylcarbonyl)cyclopropyl]ethanoate

Systemtic Name: 1-adamantyl 2-[(1S,2R,3R)-2-phenyl-3-(phenylcarbonyl)cyclopropyl]ethanoate Openeye Name: 1-adamantyl 2-[(1S,2R,3R)-2-benzoyl-3-phenyl-cyclopropyl]acetate CAS Name: 2-[(1S,2R,3R)-2-benzoyl-3-phenylcyclopropyl]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[(1S,2R,3R)-2-benzoyl-3-phenylcyclopropyl]acetate Traditional Name: 2-[(1S,2R,3R)-2-benzoyl-3-phenyl-cyclopropyl]acetic acid 1-adamantyl ester Formula: C28H30O3 MolecularWeight: 414.536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)CC4C(C4C(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H30O3/c29-24(31-28-15-18-11-19(16-28)13-20(12-18)17-28)14-23-25(21-7-3-1-4-8-21)26(23)27(30)22-9-5-2-6-10-22/h1-10,18-20,23,25-26H,11-17H2/t18?,19?,20?,23-,25+,26+,28?/m0/s1