(1R,2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2COC3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC[C@@H]2COC3=CC=CC=C3O2)C(=O)[O-]

InChI

InChI=1S/C17H21NO5/c19-16(12-5-1-2-6-13(12)17(20)21)18-9-11-10-22-14-7-3-4-8-15(14)23-11/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,18,19)(H,20,21)/p-1/t11-,12-,13-/m1/s1