methyl 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]benzoate

Systemtic Name: methyl 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]benzoate Openeye Name: methyl 4-[1,3-bis[(4-fluorophenyl)methyl]hexahydropyrimidin-2-yl]benzoate CAS Name: 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]benzoate Traditional Name: 4-[1,3-bis(4-fluorobenzyl)hexahydropyrimidin-2-yl]benzoic acid methyl ester Formula: C26H26F2N2O2 MolecularWeight: 436.493646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26F2N2O2/c1-32-26(31)22-9-7-21(8-10-22)25-29(17-19-3-11-23(27)12-4-19)15-2-16-30(25)18-20-5-13-24(28)14-6-20/h3-14,25H,2,15-18H2,1H3