[1-(phenylmethyl)pyrrolidin-3-yl] 2-butyl-2-oxidanyl-hexanoate

Systemtic Name: [1-(phenylmethyl)pyrrolidin-3-yl] 2-butyl-2-oxidanyl-hexanoate Openeye Name: (1-benzylpyrrolidin-3-yl) 2-butyl-2-hydroxy-hexanoate CAS Name: 2-butyl-2-hydroxyhexanoic acid [1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-3-yl) 2-butyl-2-hydroxyhexanoate Traditional Name: 2-butyl-2-hydroxy-hexanoic acid (1-benzylpyrrolidin-3-yl) ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)OC1CCN(C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)OC1CCN(C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H33NO3/c1-3-5-13-21(24,14-6-4-2)20(23)25-19-12-15-22(17-19)16-18-10-8-7-9-11-18/h7-11,19,24H,3-6,12-17H2,1-2H3