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

Systemtic Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-(4-propionylpiperazino)phenyl]carbamoylamino]butyric acid Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-4-16(24)23-11-9-22(10-12-23)15-7-5-14(6-8-15)20-19(27)21-17(13(2)3)18(25)26/h5-8,13,17H,4,9-12H2,1-3H3,(H,25,26)(H2,20,21,27)