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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-13(2)12-16(17(23)24)20-18(25)19-14-4-6-15(7-5-14)22-10-8-21(3)9-11-22/h4-7,13,16H,8-12H2,1-3H3,(H,23,24)(H2,19,20,25)