2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-5-propionamido-benzoic acid Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C20H22FN3O3/c1-2-19(25)22-14-7-8-17(15(13-14)20(26)27)23-9-11-24(12-10-23)18-6-4-3-5-16(18)21/h3-8,13H,2,9-12H2,1H3,(H,22,25)(H,26,27)