2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-3-4-5-23(29)25-19-8-11-22(21(16-19)24(30)31)27-14-12-26(13-15-27)20-9-6-18(7-10-20)17(2)28/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,29)(H,30,31)