4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl ester IUPAC Name: 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl ester Formula: C20H27NO3 MolecularWeight: 334.464089

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])NCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3/i1D3,2D2