(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)cyclohexanecarboxylate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)[O-]

InChI

InChI=1S/C17H21NO5/c19-16(12-3-1-2-4-13(12)17(20)21)18-10-11-5-6-14-15(9-11)23-8-7-22-14/h5-6,9,12-13H,1-4,7-8,10H2,(H,18,19)(H,20,21)/p-1/t12-,13+/m1/s1