(4-methoxycarbonylphenyl) 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carboxylate CAS Name: 4-[(5-chloro-6-ethyl-4-pyrimidinyl)amino]-1-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H23ClN4O4/c1-3-16-17(21)18(23-12-22-16)24-14-8-10-25(11-9-14)20(27)29-15-6-4-13(5-7-15)19(26)28-2/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,23,24)