(1S,2S)-2-(6,7,8,9-tetrahydrodibenzofuran-2-ylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-(6,7,8,9-tetrahydrodibenzofuran-2-ylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-(6,7,8,9-tetrahydrodibenzofuran-2-ylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-(6,7,8,9-tetrahydrodibenzofuran-2-ylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(6,7,8,9-tetrahydrodibenzofuran-2-ylcarbamoyl)cyclohexanecarboxylate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)[O-]

InChI

InChI=1S/C20H23NO4/c22-19(14-6-1-2-7-15(14)20(23)24)21-12-9-10-18-16(11-12)13-5-3-4-8-17(13)25-18/h9-11,14-15H,1-8H2,(H,21,22)(H,23,24)/p-1/t14-,15-/m0/s1