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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CN3CCCC(C3)C(=O)O

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CN3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-18-13-7-11(4-5-15(13)24-10-16(18)21)14(20)9-19-6-2-3-12(8-19)17(22)23/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,22,23)/t12-/m0/s1