(E)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-9-phenylmethoxy-non-7-en-2-yn-1-one

Systemtic Name: (E)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-9-phenylmethoxy-non-7-en-2-yn-1-one Openeye Name: (E)-9-benzyloxy-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]non-7-en-2-yn-1-one CAS Name: (E)-1-[(2R,5R)-2,5-dimethyl-1-pyrrolidinyl]-9-phenylmethoxy-1-non-7-en-2-ynone IUPAC Name: (E)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-9-phenylmethoxynon-7-en-2-yn-1-one Traditional Name: (E)-9-benzoxy-1-[(2R,5R)-2,5-dimethylpyrrolidino]non-7-en-2-yn-1-one Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C(=O)C#CCCCC=CCOCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1CC[C@H](N1C(=O)C#CCCC/C=C/COCC2=CC=CC=C2)C

InChI

InChI=1S/C22H29NO2/c1-19-15-16-20(2)23(19)22(24)14-10-5-3-4-6-11-17-25-18-21-12-8-7-9-13-21/h6-9,11-13,19-20H,3-5,15-18H2,1-2H3/b11-6+/t19-,20-/m1/s1