[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: (1-tert-butoxycarbonylpyrrolidin-2-yl)methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazine-1-carboxylic acid (1-tert-butoxycarbonylpyrrolidin-2-yl)methyl ester Formula: C25H35N5O6 MolecularWeight: 501.5753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N5O6/c1-6-34-22(31)20-14-18(15-26)17(2)27-21(20)28-10-12-29(13-11-28)23(32)35-16-19-8-7-9-30(19)24(33)36-25(3,4)5/h14,19H,6-13,16H2,1-5H3