2-(2-cyanopyrrolidin-1-yl)carbonyl-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-(2-cyanopyrrolidin-1-yl)carbonyl-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-(2-cyanopyrrolidine-1-carbonyl)-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-5-[[(4-methoxyphenyl)methylamino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-cyanopyrrolidine-1-carbonyl)-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-5-[(p-anisylamino)methyl]pyrrolidine-1-carboxylic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCC2CCC(N2C(=O)O)C(=O)N3CCCC3C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNCC2CCC(N2C(=O)O)C(=O)N3CCCC3C#N

InChI

InChI=1S/C20H26N4O4/c1-28-17-7-4-14(5-8-17)12-22-13-16-6-9-18(24(16)20(26)27)19(25)23-10-2-3-15(23)11-21/h4-5,7-8,15-16,18,22H,2-3,6,9-10,12-13H2,1H3,(H,26,27)