methyl 4-[[2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(4-fluorobenzoyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C23H26FN3O4 MolecularWeight: 427.468643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FN3O4/c1-16(21(28)25-15-17-3-5-19(6-4-17)23(30)31-2)26-11-13-27(14-12-26)22(29)18-7-9-20(24)10-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,28)