2-methylbutyl [2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate

Systemtic Name: 2-methylbutyl [2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate Openeye Name: 2-methylbutyl [2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate CAS Name: carbonic acid 2-methylbutyl [2-(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: 2-methylbutyl [2-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate Traditional Name: carbonic acid 2-methylbutyl [2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C33H46N2O4 MolecularWeight: 534.72934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O4/c1-4-6-7-8-9-10-11-12-16-23-38-33(21-19-29(20-22-33)28-17-14-13-15-18-28)31-34-24-30(25-35-31)39-32(36)37-26-27(3)5-2/h13-15,17-22,24-25,27,29H,4-12,16,23,26H2,1-3H3