2-[2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]ethyl 4-methylhexanoate

Systemtic Name: 2-[2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]ethyl 4-methylhexanoate Openeye Name: 2-[2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]ethyl 4-methylhexanoate CAS Name: 4-methylhexanoic acid 2-[2-(4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]ethyl ester IUPAC Name: 2-[2-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]ethyl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid 2-[2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]ethyl ester Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCOC(=O)CCC(C)CC

Isomeric SMILES

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCOC(=O)CCC(C)CC

InChI

InChI=1S/C28H36N2O2/c1-4-16-28(17-13-25(14-18-28)24-9-7-6-8-10-24)27-29-20-23(21-30-27)15-19-32-26(31)12-11-22(3)5-2/h6-10,13-14,17-18,20-22,25H,4-5,11-12,15-16,19H2,1-3H3