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

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O3/c1-2-3-8-21(27)24-16-9-10-19(17(15-16)22(28)29)25-11-13-26(14-12-25)20-7-5-4-6-18(20)23/h4-7,9-10,15H,2-3,8,11-14H2,1H3,(H,24,27)(H,28,29)