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

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorobenzoyl)amino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[[(4-fluorophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-fluorobenzoyl)amino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-[(4-fluorobenzoyl)amino]benzoic acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O5/c1-2-30-21(29)25-11-9-24(10-12-25)18-8-5-15(20(27)28)13-17(18)23-19(26)14-3-6-16(22)7-4-14/h3-8,13H,2,9-12H2,1H3,(H,23,26)(H,27,28)