methyl (2S,3S,4R,5R)-2,5-dimethyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R)-2,5-dimethyl-6-oxidanylidene-4-[(phenylmethyl)amino]oxane-3-carboxylate Openeye Name: methyl (2S,3S,4R,5R)-4-(benzylamino)-2,5-dimethyl-6-oxo-tetrahydropyran-3-carboxylate CAS Name: (2S,3S,4R,5R)-2,5-dimethyl-6-oxo-4-[(phenylmethyl)amino]-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R)-4-(benzylamino)-2,5-dimethyl-6-oxooxane-3-carboxylate Traditional Name: (2S,3S,4R,5R)-4-(benzylamino)-6-keto-2,5-dimethyl-tetrahydropyran-3-carboxylic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H](OC1=O)C)C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO4/c1-10-14(17-9-12-7-5-4-6-8-12)13(16(19)20-3)11(2)21-15(10)18/h4-8,10-11,13-14,17H,9H2,1-3H3/t10-,11+,13-,14-/m1/s1