methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propylcarbamoyl]benzoate CAS Name: 4-[[3-[4-(2-fluorophenyl)-1-piperazinyl]propylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propylcarbamoyl]benzoate Traditional Name: 4-[3-[4-(2-fluorophenyl)piperazino]propylcarbamoyl]benzoic acid methyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3/c1-29-22(28)18-9-7-17(8-10-18)21(27)24-11-4-12-25-13-15-26(16-14-25)20-6-3-2-5-19(20)23/h2-3,5-10H,4,11-16H2,1H3,(H,24,27)