(4-ethylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-ethylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-ethylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-ethylphenyl)methyl ester IUPAC Name: (4-ethylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-ethylbenzyl) ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC=CC=N3

InChI

InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23)