methyl 1-[5-(diethylamino)-1-oxidanyl-1-phenyl-pent-3-ynyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[5-(diethylamino)-1-oxidanyl-1-phenyl-pent-3-ynyl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[5-(diethylamino)-1-hydroxy-1-phenyl-pent-3-ynyl]cyclohexanecarboxylate CAS Name: 1-[5-(diethylamino)-1-hydroxy-1-phenylpent-3-ynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(diethylamino)-1-hydroxy-1-phenylpent-3-ynyl]cyclohexane-1-carboxylate Traditional Name: 1-[5-(diethylamino)-1-hydroxy-1-phenyl-pent-3-ynyl]cyclohexanecarboxylic acid methyl ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCC(C1=CC=CC=C1)(C2(CCCCC2)C(=O)OC)O

Isomeric SMILES

CCN(CC)CC#CCC(C1=CC=CC=C1)(C2(CCCCC2)C(=O)OC)O

InChI

InChI=1S/C23H33NO3/c1-4-24(5-2)19-13-12-18-23(26,20-14-8-6-9-15-20)22(21(25)27-3)16-10-7-11-17-22/h6,8-9,14-15,26H,4-5,7,10-11,16-19H2,1-3H3