4-[(5-bromanyl-2-methyl-phenyl)carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-methyl-phenyl)carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-bromo-2-methyl-phenyl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[(5-bromo-2-methylanilino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-bromo-2-methylphenyl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(5-bromo-2-methyl-phenyl)carbamoyl-methyl-amino]butyric acid Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C13H17BrN2O3/c1-9-5-6-10(14)8-11(9)15-13(19)16(2)7-3-4-12(17)18/h5-6,8H,3-4,7H2,1-2H3,(H,15,19)(H,17,18)