(4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[3-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCN(C2)C(=O)C3CCCN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2CCN(C2)C(=O)C3CCCN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5/c27-21(24-13-9-18(15-24)14-23-10-1-2-11-23)20-4-3-12-25(20)22(28)31-16-17-5-7-19(8-6-17)26(29)30/h5-8,18,20H,1-4,9-16H2