3-phenyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[oxo-[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid Traditional Name: 3-phenyl-2-[[4-(4-propionylpiperazino)phenyl]carbamoylamino]propionic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N4O4/c1-2-21(28)27-14-12-26(13-15-27)19-10-8-18(9-11-19)24-23(31)25-20(22(29)30)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3,(H,29,30)(H2,24,25,31)