(phenylmethyl) (2S)-2-[[1,3-benzodioxol-5-yl(cyano)methyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[1,3-benzodioxol-5-yl(cyano)methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[1,3-benzodioxol-5-yl(cyano)methyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[1,3-benzodioxol-5-yl(cyano)methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[1,3-benzodioxol-5-yl(cyano)methyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[1,3-benzodioxol-5-yl(cyano)methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5/c23-12-17(16-8-9-19-20(11-16)30-14-29-19)24-21(26)18-7-4-10-25(18)22(27)28-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17-18H,4,7,10,13-14H2,(H,24,26)/t17?,18-/m0/s1