4-[(2-bromophenyl)methylamino]oxane-4-carboxylic acid

Systemtic Name: 4-[(2-bromophenyl)methylamino]oxane-4-carboxylic acid Openeye Name: 4-[(2-bromophenyl)methylamino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[(2-bromophenyl)methylamino]-4-oxanecarboxylic acid IUPAC Name: 4-[(2-bromophenyl)methylamino]oxane-4-carboxylic acid Traditional Name: 4-[(2-bromobenzyl)amino]tetrahydropyran-4-carboxylic acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)NCC2=CC=CC=C2Br

Isomeric SMILES

C1COCCC1(C(=O)O)NCC2=CC=CC=C2Br

InChI

InChI=1S/C13H16BrNO3/c14-11-4-2-1-3-10(11)9-15-13(12(16)17)5-7-18-8-6-13/h1-4,15H,5-9H2,(H,16,17)