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

Systemtic Name: 3-methyl-2-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamoylamino]butanoic acid Openeye Name: 2-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[2-(4-benzoyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(4-benzoylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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