(2S)-4-(4-bromophenyl)-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-bromophenyl)-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-bromophenyl)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-bromophenyl)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-bromophenyl)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(4-bromophenyl)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=COC(=C1)CN[C@@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H14BrNO4/c16-11-5-3-10(4-6-11)14(18)8-13(15(19)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2,(H,19,20)/t13-/m0/s1