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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(4-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=C(C=C3)F)C(=O)O

Isomeric SMILES

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

InChI

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