methyl 1-(1-oxidanyl-1-phenyl-5-pyrrolidin-1-yl-pent-3-ynyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(1-oxidanyl-1-phenyl-5-pyrrolidin-1-yl-pent-3-ynyl)cyclohexane-1-carboxylate Openeye Name: methyl 1-(1-hydroxy-1-phenyl-5-pyrrolidin-1-yl-pent-3-ynyl)cyclohexanecarboxylate CAS Name: 1-[1-hydroxy-1-phenyl-5-(1-pyrrolidinyl)pent-3-ynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-hydroxy-1-phenyl-5-pyrrolidin-1-ylpent-3-ynyl)cyclohexane-1-carboxylate Traditional Name: 1-(1-hydroxy-1-phenyl-5-pyrrolidino-pent-3-ynyl)cyclohexanecarboxylic acid methyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)C(CC#CCN2CCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1(CCCCC1)C(CC#CCN2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO3/c1-27-21(25)22(14-6-3-7-15-22)23(26,20-12-4-2-5-13-20)16-8-9-17-24-18-10-11-19-24/h2,4-5,12-13,26H,3,6-7,10-11,14-19H2,1H3