5-acetamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(3-fluorobenzyl)piperazino]benzoic acid Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3/c1-14(25)22-17-5-6-19(18(12-17)20(26)27)24-9-7-23(8-10-24)13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,26,27)