(4-nitrophenyl)methyl 3-azanyl-3-(1-pyrrolidin-2-ylcarbonylpiperidin-4-yl)imino-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-azanyl-3-(1-pyrrolidin-2-ylcarbonylpiperidin-4-yl)imino-propanoate Openeye Name: (4-nitrophenyl)methyl 3-amino-3-[[1-(pyrrolidine-2-carbonyl)-4-piperidyl]imino]propanoate CAS Name: 3-amino-3-[[1-[oxo(2-pyrrolidinyl)methyl]-4-piperidinyl]imino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-amino-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]iminopropanoate Traditional Name: 3-amino-3-[(1-prolyl-4-piperidyl)imino]propionic acid (4-nitrobenzyl) ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(CC2)N=C(CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(CC2)N=C(CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H27N5O5/c21-18(12-19(26)30-13-14-3-5-16(6-4-14)25(28)29)23-15-7-10-24(11-8-15)20(27)17-2-1-9-22-17/h3-6,15,17,22H,1-2,7-13H2,(H2,21,23)