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

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Openeye Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid CAS Name: 4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Traditional Name: 4-[4-(3-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=C3)F

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

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