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

Systemtic Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-ethylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C18H28N4O3/c1-4-21-9-11-22(12-10-21)15-7-5-14(6-8-15)19-18(25)20-16(13(2)3)17(23)24/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,24)(H2,19,20,25)