3-[(2-fluorophenyl)carbonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(2-fluorophenyl)carbonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(2-fluorobenzoyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-[[(2-fluorophenyl)-oxomethyl]amino]-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(2-fluorobenzoyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(2-fluorobenzoyl)amino]-4-(4-propylpiperazino)benzoic acid Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O3/c1-2-9-24-10-12-25(13-11-24)19-8-7-15(21(27)28)14-18(19)23-20(26)16-5-3-4-6-17(16)22/h3-8,14H,2,9-13H2,1H3,(H,23,26)(H,27,28)