6-methyloctyl 2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 6-methyloctyl 2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: 6-methyloctyl 2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinecarboxylic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylic acid 6-methyloctyl ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCCCCCC(C)CC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCCCCCC(C)CC

InChI

InChI=1S/C31H42N2O2/c1-4-6-12-19-31(20-17-27(18-21-31)26-15-10-7-11-16-26)30-32-23-28(24-33-30)29(34)35-22-13-8-9-14-25(3)5-2/h7,10-11,15-18,20-21,23-25,27H,4-6,8-9,12-14,19,22H2,1-3H3