4-methylhexyl 2-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 4-methylhexyl 2-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: 4-methylhexyl 2-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(1-ethyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinecarboxylic acid 4-methylhexyl ester IUPAC Name: 4-methylhexyl 2-(1-ethyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylic acid 4-methylhexyl ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC(=O)C1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC

Isomeric SMILES

CCC(C)CCCOC(=O)C1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC

InChI

InChI=1S/C26H32N2O2/c1-4-20(3)10-9-17-30-24(29)23-18-27-25(28-19-23)26(5-2)15-13-22(14-16-26)21-11-7-6-8-12-21/h6-8,11-16,18-20,22H,4-5,9-10,17H2,1-3H3