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

Systemtic Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[5-(4-propylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H32N2O3/c1-3-5-20-6-8-21(9-7-20)24-18-29-27(30-19-24)22-10-16-26(17-11-22)33-28(31)23-12-14-25(15-13-23)32-4-2/h10-21H,3-9H2,1-2H3