2-(4-ethanoylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-(pentanoylamino)benzoic acid Traditional Name: 2-(4-acetylpiperazino)-5-(valerylamino)benzoic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-3-4-5-17(23)19-14-6-7-16(15(12-14)18(24)25)21-10-8-20(9-11-21)13(2)22/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,23)(H,24,25)