4-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]amino]butyric acid Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CNCCCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CNCCCC(=O)O)Br

InChI

InChI=1S/C13H17BrN2O3/c1-9-4-5-11(10(14)7-9)16-12(17)8-15-6-2-3-13(18)19/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)