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

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[oxo-[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methyl]amino]propanoic acid IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoic acid Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]carbamoylamino]propionic acid Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C)C(=O)O

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C)C(=O)O

InChI

InChI=1S/C18H26N4O4/c1-3-4-16(23)22-11-9-21(10-12-22)15-7-5-14(6-8-15)20-18(26)19-13(2)17(24)25/h5-8,13H,3-4,9-12H2,1-2H3,(H,24,25)(H2,19,20,26)