(2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(2-phenylmethoxyethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(2-phenylmethoxyethanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(2-benzyloxyacetyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(1-oxo-2-phenylmethoxyethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(2-benzoxyacetyl)pyrrolidine-2-carboxamide Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)COCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O5/c24-12-18(17-8-9-20-21(11-17)31-15-30-20)25-23(28)19-7-4-10-26(19)22(27)14-29-13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,18-19H,4,7,10,13-15H2,(H,25,28)/t18?,19-/m0/s1