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

Systemtic Name: 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C17H25ClN4O3 MolecularWeight: 368.8584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O3/c1-11(2)15(16(23)24)20-17(25)19-12-4-5-14(13(18)10-12)22-8-6-21(3)7-9-22/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,24)(H2,19,20,25)