(2S)-1-[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,5R)-5-(1,3-benzodioxol-5-yloxymethyl)prolyl]pyrrolidine-2-carbonitrile Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CC[C@@H](N2)COC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C18H21N3O4/c19-9-13-2-1-7-21(13)18(22)15-5-3-12(20-15)10-23-14-4-6-16-17(8-14)25-11-24-16/h4,6,8,12-13,15,20H,1-3,5,7,10-11H2/t12-,13+,15+/m1/s1