methyl 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoate

Systemtic Name: methyl 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoate Openeye Name: methyl 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoate CAS Name: 2-[[oxo-[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]propanoate Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]carbamoylamino]propionic acid methyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-4-5-17(24)23-12-10-22(11-13-23)16-8-6-15(7-9-16)21-19(26)20-14(2)18(25)27-3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,20,21,26)