4-[(phenylmethyl)amino]oxane-4-carboxylic acid

Systemtic Name: 4-[(phenylmethyl)amino]oxane-4-carboxylic acid Openeye Name: 4-(benzylamino)tetrahydropyran-4-carboxylic acid CAS Name: 4-[(phenylmethyl)amino]-4-oxanecarboxylic acid IUPAC Name: 4-(benzylamino)oxane-4-carboxylic acid Traditional Name: 4-(benzylamino)tetrahydropyran-4-carboxylic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c15-12(16)13(6-8-17-9-7-13)14-10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)