[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl] 4-azanylbenzoate dihydrochloride

Systemtic Name: [5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-3-yl] 4-azanylbenzoate dihydrochloride Openeye Name: [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] 4-aminobenzoate dihydrochloride CAS Name: 4-aminobenzoic acid [5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl] ester dihydrochloride IUPAC Name: [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] 4-aminobenzoate dihydrochloride Traditional Name: 4-aminobenzoic acid [5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester dihydrochloride Formula: C17H22Cl2N4O3 MolecularWeight: 401.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)OC(=O)C3=CC=C(C=C3)N)C#N.Cl.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)OC(=O)C3=CC=C(C=C3)N)C#N.Cl.Cl

InChI

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