[2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 6-methyloctanoate

Systemtic Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H42N2O3/c1-4-6-7-13-22-35-31(20-18-27(19-21-31)26-15-9-8-10-16-26)30-32-23-28(24-33-30)36-29(34)17-12-11-14-25(3)5-2/h8-10,15-16,18-21,23-25,27H,4-7,11-14,17,22H2,1-3H3