[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] ester IUPAC Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC1(CCCCC1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)CC#CC1(CCCCC1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C27H39NO3/c1-3-28(4-2)22-14-21-26(19-12-7-13-20-26)31-25(29)27(30,23-15-8-5-9-16-23)24-17-10-6-11-18-24/h5,8-9,15-16,24,30H,3-4,6-7,10-13,17-20,22H2,1-2H3