(4-tert-butylphenyl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate CAS Name: 1-(2-pyrimidinyl)-3-piperidinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate Traditional Name: 1-(2-pyrimidyl)nipecotic acid (4-tert-butylbenzyl) ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)18-9-7-16(8-10-18)15-26-19(25)17-6-4-13-24(14-17)20-22-11-5-12-23-20/h5,7-12,17H,4,6,13-15H2,1-3H3