2-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]amino]-2-methyl-valeric acid Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC(=O)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCC(C)(C(=O)O)NCC(=O)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C15H21BrN2O3/c1-4-7-15(3,14(20)21)17-9-13(19)18-11-5-6-12(16)10(2)8-11/h5-6,8,17H,4,7,9H2,1-3H3,(H,18,19)(H,20,21)