4-[(4-chlorophenyl)methylamino]oxane-4-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)methylamino]oxane-4-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methylamino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[(4-chlorophenyl)methylamino]-4-oxanecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methylamino]oxane-4-carboxylic acid Traditional Name: 4-[(4-chlorobenzyl)amino]tetrahydropyran-4-carboxylic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c14-11-3-1-10(2-4-11)9-15-13(12(16)17)5-7-18-8-6-13/h1-4,15H,5-9H2,(H,16,17)