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

Systemtic Name: [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] octan-2-yl carbonate Openeye Name: 1-methylheptyl [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate CAS Name: carbonic acid [2-(1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] octan-2-yl ester IUPAC Name: [2-(1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] octan-2-yl carbonate Traditional Name: carbonic acid 1-methylheptyl [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C34H48N2O3 MolecularWeight: 532.75652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)OC(C)CCCCCC

InChI

InChI=1S/C34H48N2O3/c1-4-6-8-10-11-12-17-23-34(24-21-30(22-25-34)29-19-15-13-16-20-29)32-35-26-31(27-36-32)39-33(37)38-28(3)18-14-9-7-5-2/h13,15-16,19-22,24-28,30H,4-12,14,17-18,23H2,1-3H3