methyl 4-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]benzoic acid methyl ester Formula: C21H25FN2O3 MolecularWeight: 372.433203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25FN2O3/c1-26-20-8-7-19(22)13-18(20)15-24-11-9-23(10-12-24)14-16-3-5-17(6-4-16)21(25)27-2/h3-8,13H,9-12,14-15H2,1-2H3