3,3-dimethyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one Openeye Name: 1-[(2S)-2-(benzyloxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-pent-4-en-1-one CAS Name: 3,3-dimethyl-1-[(2S)-2-(phenylmethoxymethyl)-1-pyrrolidinyl]-4-penten-1-one IUPAC Name: 3,3-dimethyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one Traditional Name: 1-[(2S)-2-(benzoxymethyl)pyrrolidino]-3,3-dimethyl-pent-4-en-1-one Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCCC1COCC2=CC=CC=C2)C=C

Isomeric SMILES

CC(C)(CC(=O)N1CCC[C@H]1COCC2=CC=CC=C2)C=C

InChI

InChI=1S/C19H27NO2/c1-4-19(2,3)13-18(21)20-12-8-11-17(20)15-22-14-16-9-6-5-7-10-16/h4-7,9-10,17H,1,8,11-15H2,2-3H3/t17-/m0/s1