[(2S)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-1-pyrrolidinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: (3,4-dimethoxyphenyl)-[(2S)-2-piperonylpyrrolidino]methanone Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23NO5/c1-24-17-8-6-15(12-19(17)25-2)21(23)22-9-3-4-16(22)10-14-5-7-18-20(11-14)27-13-26-18/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1