2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl] carbonate

Systemtic Name: 2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl] carbonate Openeye Name: 2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl] carbonate CAS Name: carbonic acid 2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: 2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl] carbonate Traditional Name: carbonic acid 2-methylbutyl [2-[4-(4-undecoxyphenyl)phenyl]pyrimidin-5-yl] ester Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)OCC(C)CC

InChI

InChI=1S/C33H44N2O4/c1-4-6-7-8-9-10-11-12-13-22-37-30-20-18-28(19-21-30)27-14-16-29(17-15-27)32-34-23-31(24-35-32)39-33(36)38-25-26(3)5-2/h14-21,23-24,26H,4-13,22,25H2,1-3H3