2-aminocarbonyl-2-[cyano-(3-phenoxyphenyl)methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-[cyano-(3-phenoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-carbamoyl-2-[cyano-(3-phenoxyphenyl)methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-carbamoyl-2-[cyano-(3-phenoxyphenyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-carbamoyl-2-[cyano-(3-phenoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-carbamoyl-2-[cyano-(3-phenoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)O)(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H19N3O4/c21-13-17(20(18(22)24)10-5-11-23(20)19(25)26)14-6-4-9-16(12-14)27-15-7-2-1-3-8-15/h1-4,6-9,12,17H,5,10-11H2,(H2,22,24)(H,25,26)