[2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 8-methyldecanoate

Systemtic Name: [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 8-methyldecanoate Openeye Name: [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 8-methyldecanoate CAS Name: 8-methyldecanoic acid [2-(1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 8-methyldecanoate Traditional Name: 8-methylcapric acid [2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C36H52N2O2 MolecularWeight: 544.81028

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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)CCCCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C36H52N2O2/c1-4-6-7-8-9-12-18-25-36(26-23-32(24-27-36)31-20-15-13-16-21-31)35-37-28-33(29-38-35)40-34(39)22-17-11-10-14-19-30(3)5-2/h13,15-16,20-21,23-24,26-30,32H,4-12,14,17-19,22,25H2,1-3H3