4-[(2-bromanyl-3-methyl-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-yl)butanoic acid

Systemtic Name: 4-[(2-bromanyl-3-methyl-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-yl)butanoic acid Openeye Name: 4-(2-bromo-3-methyl-anilino)-4-oxo-2-tetrahydrofuran-2-yl-butanoic acid CAS Name: 4-(2-bromo-3-methylanilino)-4-oxo-2-(2-oxolanyl)butanoic acid IUPAC Name: 4-(2-bromo-3-methylanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid Traditional Name: 4-(2-bromo-3-methyl-anilino)-4-keto-2-(tetrahydrofuryl)butyric acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC(C2CCCO2)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC(C2CCCO2)C(=O)O)Br

InChI

InChI=1S/C15H18BrNO4/c1-9-4-2-5-11(14(9)16)17-13(18)8-10(15(19)20)12-6-3-7-21-12/h2,4-5,10,12H,3,6-8H2,1H3,(H,17,18)(H,19,20)