2-methyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylic acid

Systemtic Name: 2-methyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylic acid Openeye Name: 4-(benzylamino)-2-methyl-6-oxo-tetrahydropyran-3-carboxylic acid CAS Name: 2-methyl-6-oxo-4-[(phenylmethyl)amino]-3-oxanecarboxylic acid IUPAC Name: 4-(benzylamino)-2-methyl-6-oxooxane-3-carboxylic acid Traditional Name: 4-(benzylamino)-6-keto-2-methyl-tetrahydropyran-3-carboxylic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(=O)O1)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1C(C(CC(=O)O1)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9-13(14(17)18)11(7-12(16)19-9)15-8-10-5-3-2-4-6-10/h2-6,9,11,13,15H,7-8H2,1H3,(H,17,18)