4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-(diethylamino)but-2-ynyl ester Formula: C66H93N3O9 MolecularWeight: 1072.45932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/3C22H31NO3/c3*1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h3*5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3