[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]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-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-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-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]methyl ester Formula: C30H37N5O7 MolecularWeight: 579.64408

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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)OCC3CCCCN3CC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCCN3CC4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C30H37N5O7/c1-4-39-29(36)24-15-22(16-31)20(2)32-28(24)33-9-11-34(12-10-33)30(37)40-18-23-7-5-6-8-35(23)17-21-13-25(38-3)27-26(14-21)41-19-42-27/h13-15,23H,4-12,17-19H2,1-3H3