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

Systemtic Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(2-fluorobenzyl)piperazino]-5-(valerylamino)benzoic acid Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O3/c1-2-3-8-22(28)25-18-9-10-21(19(15-18)23(29)30)27-13-11-26(12-14-27)16-17-6-4-5-7-20(17)24/h4-7,9-10,15H,2-3,8,11-14,16H2,1H3,(H,25,28)(H,29,30)