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

Systemtic Name: 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylpentanoic acid Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-3-methyl-valeric acid Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O3/c1-4-12(2)16(17(24)25)21-18(26)20-13-5-6-15(14(19)11-13)23-9-7-22(3)8-10-23/h5-6,11-12,16H,4,7-10H2,1-3H3,(H,24,25)(H2,20,21,26)