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

Systemtic Name: (3R)-1-[(2S)-1-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-1-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)-1-methyl-ethyl]nipecotic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C18H22N2O5/c1-11(20-7-3-4-13(9-20)18(23)24)17(22)12-5-6-15-14(8-12)19(2)16(21)10-25-15/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,23,24)/t11-,13+/m0/s1