2,5-dimethyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylic acid Openeye Name: 4-(benzylamino)-2,5-dimethyl-6-oxo-tetrahydropyran-3-carboxylic acid CAS Name: 2,5-dimethyl-6-oxo-4-[(phenylmethyl)amino]-3-oxanecarboxylic acid IUPAC Name: 4-(benzylamino)-2,5-dimethyl-6-oxooxane-3-carboxylic acid Traditional Name: 4-(benzylamino)-6-keto-2,5-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OC1=O)C)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC1C(C(C(OC1=O)C)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4/c1-9-13(16-8-11-6-4-3-5-7-11)12(14(17)18)10(2)20-15(9)19/h3-7,9-10,12-13,16H,8H2,1-2H3,(H,17,18)