(5-cyano-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl) 4-azanylbenzoate dihydrochloride

Systemtic Name: (5-cyano-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl) 4-azanylbenzoate dihydrochloride Openeye Name: [5-cyano-1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl] 4-aminobenzoate dihydrochloride CAS Name: 4-aminobenzoic acid [5-cyano-1-[oxo(2-pyrrolidinyl)methyl]-3-pyrrolidinyl] ester dihydrochloride IUPAC Name: [5-cyano-1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl] 4-aminobenzoate dihydrochloride Traditional Name: 4-aminobenzoic acid (5-cyano-1-prolyl-pyrrolidin-3-yl) ester dihydrochloride Formula: C17H22Cl2N4O3 MolecularWeight: 401.28758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(CC2C#N)OC(=O)C3=CC=C(C=C3)N.Cl.Cl

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(CC2C#N)OC(=O)C3=CC=C(C=C3)N.Cl.Cl

InChI

InChI=1S/C17H20N4O3.2ClH/c18-9-13-8-14(10-21(13)16(22)15-2-1-7-20-15)24-17(23)11-3-5-12(19)6-4-11;;/h3-6,13-15,20H,1-2,7-8,10,19H2;2*1H