(1R,2R)-2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R)-2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: (1R,2R)-2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexanecarboxylic acid CAS Name: (1R,2R)-2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R)-2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: (1R,2R)-2-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexanecarboxylic acid Formula: C15H17NO5 MolecularWeight: 291.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H17NO5/c17-14(10-3-1-2-4-11(10)15(18)19)16-9-5-6-12-13(7-9)21-8-20-12/h5-7,10-11H,1-4,8H2,(H,16,17)(H,18,19)/t10-,11-/m1/s1