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

Systemtic Name: ethyl 2-[2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropanoate Openeye Name: ethyl 2-[2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropanoate CAS Name: 2-[[2-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropanoate Traditional Name: 2-[2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropionic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(C)C(=O)OCC

InChI

InChI=1S/C28H36N2O3/c1-4-6-7-8-12-17-28(18-15-24(16-19-28)23-13-10-9-11-14-23)27-29-20-25(21-30-27)33-22(3)26(31)32-5-2/h9-11,13-16,18-22,24H,4-8,12,17H2,1-3H3