(1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[4-(1,3-benzodioxol-5-yloxy)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C21H20NO6- MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)C(=O)[O-]

InChI

InChI=1S/C21H21NO6/c23-20(16-3-1-2-4-17(16)21(24)25)22-13-5-7-14(8-6-13)28-15-9-10-18-19(11-15)27-12-26-18/h5-11,16-17H,1-4,12H2,(H,22,23)(H,24,25)/p-1/t16-,17-/m0/s1