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

Systemtic Name: methyl 5-fluoranyl-2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-5-fluoro-2-methoxy-benzoate CAS Name: 5-fluoro-2-methoxy-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-5-fluoro-2-methoxybenzoate Traditional Name: 4-(4-benzylpiperazino)-5-fluoro-2-methoxy-benzoic acid methyl ester Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)F)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)F)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O3/c1-25-19-13-18(17(21)12-16(19)20(24)26-2)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3