tert-butyl 4-[2-(2,6-diethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-yl-phenoxy)methyl]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,6-diethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-yl-phenoxy)methyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,6-diethylphenyl)-5-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-methyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2,6-diethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,6-diethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,6-diethylphenyl)-5-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-methyl-pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C35H48N4O3 MolecularWeight: 572.78062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)COC4=C(C=CC(=C4)C(C)C)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)COC4=C(C=CC(=C4)C(C)C)C)C

InChI

InChI=1S/C35H48N4O3/c1-10-26-13-12-14-27(11-2)31(26)32-36-25(6)29(22-41-30-21-28(23(3)4)16-15-24(30)5)33(37-32)38-17-19-39(20-18-38)34(40)42-35(7,8)9/h12-16,21,23H,10-11,17-20,22H2,1-9H3