4-(4-ethoxycarbonylpiperazin-1-yl)-3-(propanoylamino)benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(propanoylamino)benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(propanoylamino)benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(propanoylamino)benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-propionamido-benzoic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H23N3O5/c1-3-15(21)18-13-11-12(16(22)23)5-6-14(13)19-7-9-20(10-8-19)17(24)25-4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,21)(H,22,23)