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

Systemtic Name: [1-(phenylmethyl)pyrrolidin-3-yl] 2-methyl-2-oxidanyl-hexanoate Openeye Name: (1-benzylpyrrolidin-3-yl) 2-hydroxy-2-methyl-hexanoate CAS Name: 2-hydroxy-2-methylhexanoic acid [1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-3-yl) 2-hydroxy-2-methylhexanoate Traditional Name: 2-hydroxy-2-methyl-hexanoic acid (1-benzylpyrrolidin-3-yl) ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-3-4-11-18(2,21)17(20)22-16-10-12-19(14-16)13-15-8-6-5-7-9-15/h5-9,16,21H,3-4,10-14H2,1-2H3