2-aminocarbonyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2(CCCN2C(=O)O)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C2(CCCN2C(=O)O)C(=O)N)OC

InChI

InChI=1S/C16H19N3O5/c1-23-12-5-4-10(8-13(12)24-2)11(9-17)16(14(18)20)6-3-7-19(16)15(21)22/h4-5,8,11H,3,6-7H2,1-2H3,(H2,18,20)(H,21,22)