[4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate

Systemtic Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C32H40N2O3 MolecularWeight: 500.6716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C32H40N2O3/c1-3-5-6-7-8-9-24-10-12-25(13-11-24)28-22-33-31(34-23-28)26-14-20-30(21-15-26)37-32(35)27-16-18-29(19-17-27)36-4-2/h14-25H,3-13H2,1-2H3