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

Systemtic Name: methyl 4-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(5-fluoro-2-methoxy-benzyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26FN3O4/c1-29-20-8-5-18(23)13-17(20)14-25-9-11-26(12-10-25)15-21(27)24-19-6-3-16(4-7-19)22(28)30-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)