4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoylamino]butanoate

Systemtic Name: 4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoylamino]butanoate Openeye Name: 4-[(2-chloro-4,6-dimethyl-phenyl)carbamoylamino]butanoate CAS Name: 4-[[(2-chloro-4,6-dimethylanilino)-oxomethyl]amino]butanoate IUPAC Name: 4-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]butanoate Traditional Name: 4-[(2-chloro-4,6-dimethyl-phenyl)carbamoylamino]butyrate Formula: C13H16ClN2O3- MolecularWeight: 283.73074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)NCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)NCCCC(=O)[O-])C

InChI

InChI=1S/C13H17ClN2O3/c1-8-6-9(2)12(10(14)7-8)16-13(19)15-5-3-4-11(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1