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

Systemtic Name: 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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