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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C(=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)F

InChI

InChI=1S/C20H23FN2O3/c1-25-19-13-18(16(12-17(19)21)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