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

Systemtic Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C33H42N2O3 MolecularWeight: 514.69818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C33H42N2O3/c1-3-5-6-7-8-9-10-25-11-13-26(14-12-25)29-23-34-32(35-24-29)27-15-21-31(22-16-27)38-33(36)28-17-19-30(20-18-28)37-4-2/h15-26H,3-14H2,1-2H3