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

Systemtic Name: (4-tert-butylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-22(2,3)19-7-5-18(6-8-19)16-28-21(27)26-13-9-17(10-14-26)15-25-20-23-11-4-12-24-20/h4-8,11-12,17H,9-10,13-16H2,1-3H3,(H,23,24,25)