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

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(pentanoylamino)benzoic acid Openeye Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(pentanoylamino)benzoic acid CAS Name: 4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-3-(1-oxopentylamino)benzoic acid IUPAC Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(pentanoylamino)benzoic acid Traditional Name: 4-[4-(3-fluorobenzyl)piperazino]-3-(valerylamino)benzoic acid Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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