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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-propionamido-benzoic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-3-21(27)23-17-6-9-20(19(14-17)22(28)29)25-12-10-24(11-13-25)18-7-4-16(5-8-18)15(2)26/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)(H,28,29)