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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-10(19-6-2-3-12(8-19)17(22)23)16(21)11-4-5-14-13(7-11)18-15(20)9-24-14/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,20)(H,22,23)/t10-,12+/m0/s1