[(2S,3R)-2-(2,2-dimethylpropyl)-1-pentyl-pyrrolidin-3-yl]-phenyl-methanone

Systemtic Name: [(2S,3R)-2-(2,2-dimethylpropyl)-1-pentyl-pyrrolidin-3-yl]-phenyl-methanone Openeye Name: [(2S,3R)-2-(2,2-dimethylpropyl)-1-pentyl-pyrrolidin-3-yl]-phenyl-methanone CAS Name: [(2S,3R)-2-(2,2-dimethylpropyl)-1-pentyl-3-pyrrolidinyl]-phenylmethanone IUPAC Name: [(2S,3R)-2-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]-phenylmethanone Traditional Name: [(2S,3R)-1-amyl-2-neopentyl-pyrrolidin-3-yl]-phenyl-methanone Formula: C21H33NO MolecularWeight: 315.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C1CC(C)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCN1CC[C@H]([C@@H]1CC(C)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H33NO/c1-5-6-10-14-22-15-13-18(19(22)16-21(2,3)4)20(23)17-11-8-7-9-12-17/h7-9,11-12,18-19H,5-6,10,13-16H2,1-4H3/t18-,19+/m1/s1