(3R)-1-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-keto-2-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]ethyl]nipecotic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3CCCC(C3)C(=O)O

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-10-16(21)18-13-7-11(4-5-15(13)24-10)14(20)9-19-6-2-3-12(8-19)17(22)23/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,21)(H,22,23)/t10-,12-/m1/s1