2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methyl]amino]butanoic acid IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-4-5-17(25)24-12-10-23(11-13-24)16-8-6-15(7-9-16)21-20(28)22-18(14(2)3)19(26)27/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,26,27)(H2,21,22,28)