3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]pentanoic acid Traditional Name: 3-methyl-2-[[4-(4-methylpiperazino)phenyl]carbamoylamino]valeric acid Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C

InChI

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