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

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate; pentanoate Openeye Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate; pentanoate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester; pentanoate IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; pentanoate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-(diethylamino)but-2-ynyl ester; valerate Formula: C27H40NO5- MolecularWeight: 458.6102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[O-].CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCC(=O)[O-].CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO3.C5H10O2/c1-3-23(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;1-2-3-4-5(6)7/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;2-4H2,1H3,(H,6,7)/p-1