4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Traditional Name: 4-[4-(2-fluorobenzyl)piperazino]-3-propionamido-benzoic acid Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O3/c1-2-20(26)23-18-13-15(21(27)28)7-8-19(18)25-11-9-24(10-12-25)14-16-5-3-4-6-17(16)22/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)(H,27,28)