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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-(propanoylamino)benzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-(propanoylamino)benzoic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-(propanoylamino)benzoic acid Traditional Name: 4-(4-acetylpiperazino)-3-propionamido-benzoic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-3-15(21)17-13-10-12(16(22)23)4-5-14(13)19-8-6-18(7-9-19)11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,21)(H,22,23)