[(3R,5S)-4-(dimethylamino)-1-adamantyl] 2,2-diphenylethanoate

Systemtic Name: [(3R,5S)-4-(dimethylamino)-1-adamantyl] 2,2-diphenylethanoate Openeye Name: [(3R,5S)-4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(3R,5S)-4-(dimethylamino)-1-adamantyl] ester IUPAC Name: [(3R,5S)-4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(3R,5S)-4-(dimethylamino)-1-adamantyl] ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC1CC(C3)(C2)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1[C@@H]2CC3C[C@H]1CC(C2)(C3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31NO2/c1-27(2)24-21-13-18-14-22(24)17-26(15-18,16-21)29-25(28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-24H,13-17H2,1-2H3/t18?,21-,22+,24?,26?