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

Systemtic Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C29H34N2O3/c1-3-5-6-21-7-9-22(10-8-21)25-19-30-28(31-20-25)23-11-17-27(18-12-23)34-29(32)24-13-15-26(16-14-24)33-4-2/h11-22H,3-10H2,1-2H3