methyl 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoate CAS Name: 4-[2-(4-hexoxyphenyl)-4-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoate Traditional Name: 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid methyl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O3/c1-3-4-5-6-17-29-21-13-11-19(12-14-21)23-25-16-15-22(26-23)18-7-9-20(10-8-18)24(27)28-2/h7-16H,3-6,17H2,1-2H3