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

Systemtic Name: [1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperidin-3-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-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-[(3-fluoro-4-methoxyphenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-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-(3-fluoro-4-methoxy-benzyl)-3-piperidyl]methyl ester Formula: C29H36FN5O5 MolecularWeight: 553.625043

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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)OCC3CCCN(C3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCN(C3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C29H36FN5O5/c1-4-39-28(36)24-15-23(16-31)20(2)32-27(24)34-10-12-35(13-11-34)29(37)40-19-22-6-5-9-33(18-22)17-21-7-8-26(38-3)25(30)14-21/h7-8,14-15,22H,4-6,9-13,17-19H2,1-3H3