2-(4-phenylpiperazin-1-yl)-5-(propanoylamino)benzoic acid

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-5-(propanoylamino)benzoic acid Openeye Name: 2-(4-phenylpiperazin-1-yl)-5-(propanoylamino)benzoic acid CAS Name: 5-(1-oxopropylamino)-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 2-(4-phenylpiperazin-1-yl)-5-(propanoylamino)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-propionamido-benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-2-19(24)21-15-8-9-18(17(14-15)20(25)26)23-12-10-22(11-13-23)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3,(H,21,24)(H,25,26)