4-[(2,4-dichlorophenyl)methylamino]oxane-4-carboxylic acid

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]oxane-4-carboxylic acid Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-4-oxanecarboxylic acid IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]oxane-4-carboxylic acid Traditional Name: 4-[(2,4-dichlorobenzyl)amino]tetrahydropyran-4-carboxylic acid Formula: C13H15Cl2NO3 MolecularWeight: 304.1691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1COCCC1(C(=O)O)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3/c14-10-2-1-9(11(15)7-10)8-16-13(12(17)18)3-5-19-6-4-13/h1-2,7,16H,3-6,8H2,(H,17,18)