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

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)propan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)propan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-keto-2-(2-keto-3H-1,3-benzoxazol-6-yl)-1-methyl-ethyl]nipecotic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)NC(=O)O2)N3CCCC(C3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)NC(=O)O2)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-9(18-6-2-3-11(8-18)15(20)21)14(19)10-4-5-12-13(7-10)23-16(22)17-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,17,22)(H,20,21)/t9-,11+/m0/s1